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  • 1
    Publication Date: 2023-06-21
    Description: Solar light/dark cycles and seasonal photoperiods underpin daily and annual rhythms of life on Earth. Yet, the Arctic is characterized by severalmonths of permanent illumination (‘‘midnight sun’’). To determine the persistence of 24h rhythms during the midnight sun, we investigated transcriptomic dynamics in the copepod Calanus finmarchicus during the summer solstice period in the Arctic, with the lowest diel oscillation and the highest altitude of the sun’s position. Here we reveal that in these extreme photic conditions, a widely rhythmic daily transcriptome exists, showing that very weak solar cues are sufficient to entrain organisms. Furthermore, at extremely high latitudes and under sea-ice, gene oscillations become re-organized to include 〈24h rhythms. Environmental synchronization may therefore be modulated to include non-photic signals (i.e. tidal cycles). The ability of zooplankton to be synchronized by extremely weak diel and potentially tidal cycles, may confer an adaptive temporal reorganization of biological processes at high latitudes.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 2
    Publication Date: 2023-01-15
    Description: A Guinier camera equipped with an imaging plate is used to investigate and eliminate the sources of instrumental errors affecting the quality of the obtained scanned Guinier data. A program with a graphical user interface is presented which converts the data of the scanned images into different standard file formats for powder X‐ray patterns containing intensities, their standard deviations and the diffraction angles. The program also allows for manual and automatic correction of the 2gθ scale against a known reference material. It is shown using LaB6 that the exported X‐ray diffraction patterns provide a 2gθ scale reproducible enough to allow for averaging diffractograms obtained from different exposures of the imaging plate for the same sample. As shown on a mixture of NaCl and sodalite, the quality of the produced data is sufficient for Rietveld refinement. The software including source code is made available under a free software license.
    Description: A program for the digitization of Guinier powder diffraction images is described, which works with images from both optical and laser scanners. Thus, processing of data from storage‐phosphor‐based imaging plates and Ag‐based photographic films is possible.
    Keywords: ddc:548 ; IPreader software ; Guinier cameras ; imaging plates (IPs) ; diffraction pattern conversion into data columns ; powder X‐ray diffraction ; data processing ; Guinier method
    Language: English
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  • 3
    Publication Date: 2023-07-04
    Description: The recent diversification of macromolecular crystallographic experiments including the use of pink beams, convergent electron diffraction and serial snapshot crystallography has shown the limitations of using the Laue equations for diffraction prediction. This article gives a computationally efficient way of calculating approximate crystal diffraction patterns given varying distributions of the incoming beam, crystal shapes and other potentially hidden parameters. This approach models each pixel of a diffraction pattern and improves data processing of integrated peak intensities by enabling the correction of partially recorded reflections. The fundamental idea is to express the distributions as weighted sums of Gaussian functions. The approach is demonstrated on serial femtosecond crystallography data sets, showing a significant decrease in the required number of patterns to refine a structure to a given error.
    Description: Reflection position, size and shape prediction and partiality estimation of crystal diffraction by integrating using a Gaussian basis are described.
    Keywords: ddc:548 ; partiality estimation ; diffraction prediction ; merging ; serial snapshot crystallography
    Language: English
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  • 4
    Publication Date: 2023-07-04
    Description: Magnetic small‐angle neutron scattering (SANS) is ideally suited to providing direct reciprocal‐space information on long‐wavelength magnetic modulations, such as helicoids, solitons, merons or skyrmions. SANS of such structures in thin films or micro‐structured bulk materials is strongly limited by the tiny scattering volume vis a vis the prohibitively high background scattering by the substrate and support structures. Considering near‐surface scattering just above the critical angle of reflection, where unwanted signal contributions due to substrate or support structures become very small, it is established that the scattering patterns of the helical, conical, skyrmion lattice and fluctuation‐disordered phases in a polished bulk sample of MnSi are equivalent for conventional transmission and near‐surface SANS geometries. This motivates the prediction of a complete repository of scattering patterns expected for thin films in the near‐surface SANS geometry for each orientation of the magnetic order with respect to the scattering plane.
    Description: Near‐surface SANS is discussed for its potential as a probe of long‐wavelength magnetic modulations in specimens with reduced sample dimensions.
    Keywords: ddc:548 ; small‐angle neutron scattering ; near‐surface SANS ; magnetism ; non‐collinear magnetism ; thin films ; skyrmions ; MnSi
    Language: English
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  • 5
    Publication Date: 2023-10-24
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Complex functional materials play a crucial role in a broad range of energy‐related applications and in general for materials science. Revealing the structural mechanisms is challenging due to highly correlated coexisting phases and microstructures, especially for 〈italic〉in situ〈/italic〉 or 〈italic〉operando〈/italic〉 investigations. Since the grain sizes influence the properties, these microstructural features further complicate investigations at synchrotrons due to the limitations of illuminated sample volumes. In this study, it is demonstrated that such complex functional materials with highly correlated coexisting phases can be investigated under 〈italic〉in situ〈/italic〉 conditions with neutron diffraction. For large grain sizes, these experiments are valuable methods to reveal the structural mechanisms. For an example of 〈italic〉in situ〈/italic〉 experiments on barium titanate with an applied electric field, details of the electric‐field‐induced phase transformation depending on grain size and frequency are revealed. The results uncover the strain mechanisms in barium titanate and elucidate the complex interplay of stresses in relation to grain sizes as well as domain‐wall densities and mobilities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉This work reports 〈italic〉in situ〈/italic〉 neutron diffraction experiments on a broad range of grain sizes of barium titanate. The study reveals the grain‐size‐dependent strain mechanisms and shows the competitiveness of neutron diffraction with high‐resolution synchrotron diffraction.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2vb5054:jcr2vb5054-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:550.724 ; ddc:548 ; neutron diffraction ; in situ ; applied electric fields ; barium titanate ; strain mechanisms ; grain sizes ; complex functional materials ; microstructures ; coexisting phases
    Language: English
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  • 6
    Publication Date: 2023-12-04
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A way has been developed to measure the unit‐cell parameters of a single crystal just from an energy scan with X‐rays, even when the exact energy of the X‐rays is not well defined due to an error in the pitch angle of the monochromator. The precision of this measurement reaches 〈italic〉da〈/italic〉/〈italic〉a〈/italic〉 ∼ 1 × 10〈sup〉−5〈/sup〉. The method is based on the analysis of diffraction losses of the beam, transmitted through a single crystal (the so‐called `glitch effect'). This method can be easily applied to any transmissive X‐ray optical element made of single crystals (for example, X‐ray lenses). The only requirements are the possibility to change the energy of the generated X‐ray beam and some intensity monitor to measure the transmitted intensity. The method is agnostic to the error in the monochromator tuning and it can even be used for determination of the absolute pitch (or 2gθ) angle of the monochromator. Applying the same method to a crystal with well known lattice parameters allows determination of the exact cell parameters of the monochromator at any energy.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Diffraction losses (glitches) at certain energies of the X‐ray beam, transmitted through a single crystal, can be used for lattice parameters determination as well as for calibrating the monochromator (absolute pitch angle and the unit‐cell parameter).〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ay5590:jsy2ay5590-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray glitches ; diffraction losses ; unit‐cell parameter ; single‐crystal X‐ray optics ; monochromator calibration
    Language: English
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  • 7
    Publication Date: 2023-09-12
    Description: Two data evaluation concepts for X‐ray stress analysis based on energy‐dispersive diffraction on polycrystalline materials with cubic crystal structure, almost random crystallographic texture and strong single‐crystal elastic anisotropy are subjected to comparative assessment. The aim is the study of the residual stress state in hard‐to‐reach measurement points, for which the sin2ψ method is not applicable due to beam shadowing at larger sample tilting. This makes the approaches attractive for stress analysis in engineering parts with complex shapes, for example. Both approaches are based on the assumption of a biaxial stress state within the irradiated sample volume. They exploit in different ways the elastic anisotropy of individual crystallites acting at the microscopic scale and the anisotropy imposed on the material by the near‐surface stress state at the macroscopic scale. They therefore complement each other, in terms of both their preconditions and their results. The first approach is based on the evaluation of strain differences, which makes it less sensitive to variations in the strain‐free lattice parameter a0. Since it assumes a homogeneous stress state within the irradiated sample volume, it provides an average value of the in‐plane stresses. The second approach exploits the sensitivity of the lattice strain to changes in a0. Consequently, it assumes a homogeneous chemical composition but provides a stress profile within the information depth. Experimental examples from different fields in materials science, namely shot peening of austenitic steel and in situ stress analysis during welding, are presented to demonstrate the suitability of the proposed methods.
    Description: The single‐crystal elastic anisotropy and the anisotropy of the near‐surface (residual) stress state of polycrystalline materials with random texture are exploited in energy‐dispersive X‐ray stress analysis to study samples under constrained measurement conditions.
    Keywords: ddc:548 ; X‐ray stress analysis ; energy‐dispersive diffraction ; polycrystalline materials ; single‐crystal elastic anisotropy
    Language: English
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  • 8
    Publication Date: 2023-07-20
    Description: A pseudosymmetric description of the crystal lattice derived from a single wide‐angle Kikuchi pattern can have several causes. The small size (〈15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst.54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non‐equivalent positions are too similar and reciprocal‐lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure.
    Description: Distinguishing between actual and apparent pseudosymmetry in electron backscatter diffraction patterns is nearly impossible, even for simulated patterns. However, the resulting lattice is always a superlattice as long as the signal is not a superposition of multiple patterns.
    Keywords: ddc:548 ; Bravais lattices ; pseudosymmetry ; lattice point density ; ordered/disordered structures ; lattice distortion ; electron backscatter diffraction ; backscattered Kikuchi diffraction patterns ; lattice parameters ; Funk transform
    Language: English
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  • 9
    Publication Date: 2023-07-21
    Description: Finite size effects in partial pair distribution functions generate artefacts in the scattering structure factor and scattering intensity. It is shown how they can be overcome using a binned version of the Debye scattering equation. Accordingly, reverse Monte Carlo simulations are used for very small nanoparticles of LaFeO3 with diameters below 10 nm to simultaneously analyse X‐ray scattering data and extended X‐ray absorption fine structure spectra at the La K and Fe K edges. The structural information obtained is consistent regarding local structure and long‐range order.
    Description: Computing scattering intensity using the Debye scattering equation after binning interatomic distances avoids finite size artefacts and is efficient enough for simultaneous refinement of scattering data and extended X‐ray absorption spectra by reverse Monte Carlo simulations.
    Keywords: ddc:548 ; extended X‐ray absorption fine structure ; EXAFS ; wide‐angle X‐ray scattering ; WAXS ; reverse Monte Carlo ; RMC ; nanocrystals ; LaFeO3
    Language: English
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  • 10
    Publication Date: 2023-07-21
    Description: A band width determination using the first derivative of the band profile systematically underestimates the true Bragg angle. Corrections are proposed to compensate for the resulting offset Δa/a of the mean lattice parameters derived from as many Kikuchi band widths as possible. For dynamically simulated Kikuchi patterns, Δa/a can reach up to 8% for phases with a high mean atomic number Z, whereas for much more common low‐Z materials the offset decreases linearly. A predicted offset Δa/a = f(Z) is therefore proposed, which also includes the unit‐cell volume and thus takes into account the packing density of the scatterers in the material. Since Z is not always available for unknown phases, its substitution by Zmax, i.e. the atomic number of the heaviest element in the compound, is still acceptable for an approximate correction. For simulated Kikuchi patterns the offset‐corrected lattice parameter deviation is Δa/a 〈 1.5%. The lattice parameter ratios, and the angles α, β and γ between the basis vectors, are not affected at all.
    Description: Automatically determined band widths in simulated backscatter Kikuchi patterns exhibit differences from the double Bragg angles that correlate with the scatterer density. Corrections are proposed to compensate for this.
    Keywords: ddc:548 ; mean atomic number ; Kikuchi patterns ; lattice parameters ; automated Bragg angle determination ; lattice parameter determination ; dynamical theory of electron diffraction ; electron backscatter diffraction ; Funk transform
    Language: English
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  • 11
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The high‐intensity time‐of‐flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world‐wide 〈sup〉3〈/sup〉He crisis in 2009, the authors promptly initiated the development of 〈sup〉3〈/sup〉He‐free detector alternatives that are tailor‐made for the requirements of large‐area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular‐ and wavelength‐dependent data from the POWTEX detector, unfortunately damaged by a 50〈italic〉g〈/italic〉 shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the 〈italic〉PowderReduceP2D〈/italic〉 algorithm implemented in 〈italic〉Mantid〈/italic〉 [Arnold 〈italic〉et al.〈/italic〉 (2014). 〈italic〉Nucl. Instrum. Methods Phys. Res. A〈/italic〉, 〈bold〉764〈/bold〉, 156–166]. The final part of the data treatment chain, namely a novel multi‐dimensional refinement using a modified version of the 〈italic〉GSAS‐II〈/italic〉 software suite [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?aj5212"〉Toby & Von Dreele (2013). 〈italic〉J. Appl. Cryst.〈/italic〉〈bold〉46〈/bold〉, 544–549〈/ext-link〉], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of 〈italic〉GSAS‐II〈/italic〉. This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly‐user sample, BaZn(NCN)〈sub〉2〈/sub〉. Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi‐dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the 〈italic〉a〈/italic〉 and 〈italic〉b〈/italic〉 lattice parameters of BaZn(NCN)〈sub〉2〈/sub〉 crystallizing in 〈italic〉Pbca〈/italic〉 as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, 〈italic〉e.g.〈/italic〉 the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large‐area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The first real‐world neutron diffraction data have been collected with one of the POWTEX detectors (FRM II, Garching, Germany) mounted for testing at the Spallation Neutron Source (Oak Ridge National Laboratory, USA). They allow for angular‐ and wavelength‐dispersive Rietveld refinement using a modified version of 〈italic〉GSAS‐II〈/italic〉.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2tu5033:jcr2tu5033-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; neutron detectors ; POWGEN beamline ; POWTEX detector ; DREAM beamline ; time‐of‐flight diffraction ; angular‐dispersive refinement ; wavelength‐dispersive refinement ; powder diffraction ; Rietveld refinement ; multi‐dimensional refinement
    Language: English
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  • 12
    facet.materialart.
    Unknown
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Publication Date: 2023-07-21
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The paper by Gopalan [〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327〈/ext-link〉] presented an enumeration of the 41 physical quantity types in non‐relativistic physics, in arbitrary dimensions, based on the formalism of Clifford algebra. Gopalan considered three antisymmetries: spatial inversion, 〈overline〉1〈/overline〉, time reversal, 1′, and wedge reversion, 1〈sup〉†〈/sup〉. A consideration of the set of all seven antisymmetries (〈overline〉1〈/overline〉, 1′, 1〈sup〉†〈/sup〉, 1′〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉〈sup〉†〈/sup〉, 〈overline〉1〈/overline〉′, 〈overline〉1〈/overline〉′〈sup〉†〈/sup〉) leads to an extension of the results obtained by Gopalan. It is shown that there are 51 types of physical quantities with distinct symmetry properties in total.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉It is shown that there are 51 types of physical quantities in arbitrary dimensions with distinct transformations by wedge reversion symmetry. In the paper by 〈ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?ib5086"〉Gopalan [(2020). 〈italic〉Acta Cryst.〈/italic〉 A〈bold〉76〈/bold〉, 318–327]〈/ext-link〉 only 41 types were enumerated.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:20532733:aya2ib5117:aya2ib5117-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; multivectors ; wedge reversion ; antisymmetry ; Clifford algebra
    Language: English
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  • 13
    Publication Date: 2023-07-19
    Description: The derivation of a crystal structure and its phase‐specific parameters from a single wide‐angle backscattered Kikuchi diffraction pattern requires reliable extraction of the Bragg angles. By means of the first derivative of the lattice profile, an attempt is made to determine fully automatically and reproducibly the band widths in simulated Kikuchi patterns. Even under such ideal conditions (projection centre, wavelength and lattice plane traces are perfectly known), this leads to a lattice parameter distribution whose mean shows a linear offset that correlates with the mean atomic number Z of the pattern‐forming phase. The consideration of as many Kikuchi bands as possible reduces the errors that typically occur if only a single band is analysed. On the other hand, the width of the resulting distribution is such that higher image resolution of diffraction patterns, employing longer wavelengths to produce wider bands or the use of higher interference orders is less advantageous than commonly assumed.
    Description: The lattice parameters of more than 350 phases have been determined from simulated backscatter Kikuchi patterns. The deviations correlating with the mean atomic number correspond to those observed previously for experimental electron backscatter diffraction patterns.
    Keywords: ddc:548 ; Bragg angles ; Kikuchi bands ; Kikuchi patterns ; first derivative ; lattice parameters ; lattice parameter determination ; Bravais lattice type ; electron backscatter diffraction ; Radon transform
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  • 14
    Publication Date: 2023-07-19
    Description: Serial crystallography experiments produce massive amounts of experimental data. Yet in spite of these large‐scale data sets, only a small percentage of the data are useful for downstream analysis. Thus, it is essential to differentiate reliably between acceptable data (hits) and unacceptable data (misses). To this end, a novel pipeline is proposed to categorize the data, which extracts features from the images, summarizes these features with the `bag of visual words' method and then classifies the images using machine learning. In addition, a novel study of various feature extractors and machine learning classifiers is presented, with the aim of finding the best feature extractor and machine learning classifier for serial crystallography data. The study reveals that the oriented FAST and rotated BRIEF (ORB) feature extractor with a multilayer perceptron classifier gives the best results. Finally, the ORB feature extractor with multilayer perceptron is evaluated on various data sets including both synthetic and experimental data, demonstrating superior performance compared with other feature extractors and classifiers.
    Description: A machine learning method for distinguishing good and bad images in serial crystallography is presented. To reduce the computational cost, this uses the oriented FAST and rotated BRIEF feature extraction method from computer vision to detect image features, followed by a multilayer perceptron (neural network) to classify the images.
    Keywords: ddc:548 ; serial crystallography ; data reduction ; machine learning ; feature extraction
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  • 15
    facet.materialart.
    Unknown
    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Publication Date: 2023-07-19
    Description: Since high‐pressure devices have been used at synchrotron facilities, accurate determination of pressure and temperature in the sample has been a crucial objective, particularly for experiments that simulate the Earth's interior. However, in some cases using a thermocouple may have a high likelihood of failure or is incompatible with a high‐pressure assembly. To address these challenges and similar issues, we aim to expand a previously proposed solution: to jointly estimate pressure and temperature (〈italic〉PT〈/italic〉) through 〈italic〉in situ〈/italic〉 X‐ray diffraction, to cover a wider range of internal 〈italic〉PT〈/italic〉 calibrants tested over larger 〈italic〉PT〈/italic〉 ranges. A modifiable Python‐based software is offered to quickly obtain results. To achieve these aims, 〈italic〉in situ〈/italic〉 large volume press experiments are performed on pellets of intimately mixed powders of a halide (NaCl, KCl, KBr, CsCl) or MgO and a metal (Pt, Re, Mo, W, Ni) in the pressure range 3–11 GPa and temperature range 300–1800 K. Although the pressure range was chosen for practical reasons, it also covers an equally important depth range in the Earth (down to 350 km) for geoscience studies. A thermocouple was used to validate the 〈italic〉PT〈/italic〉 conditions in the cell assemblies. The key results show that choosing the appropriate calibrant materials and using a joint 〈italic〉PT〈/italic〉 estimation can yield surprisingly small uncertainties (〈italic〉i.e.〈/italic〉 〈±0.1 GPa and 〈±50 K). This development is expected to benefit current and future research at extreme conditions, as other materials with high compressibility or high thermal pressure, stable over large 〈italic〉PT〈/italic〉 ranges, may be discovered and used as 〈italic〉PT〈/italic〉 calibrants.〈/p〉
    Description: Research in high‐pressure devices, such as the diamond anvil cell and the large volume press, requires knowledge of the pressure and temperature in the sample. Here, a large volume press and an internal resistive heater were used to generate high load and heat to various combinations of intimately mixed powders of materials. X‐ray diffraction and custom software were used to jointly estimate the pressures and temperatures in the samples and establish calibrants for 〈italic〉in situ〈/italic〉 experiments at extreme conditions.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2vl5008:jsy2vl5008-fig-0001"〉
    Description: https://gitlab.desy.de/robert.farla/eoscross
    Keywords: ddc:548 ; equations of state ; X‐ray diffraction ; large volume press ; high pressure ; resistive heating
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  • 16
    Publication Date: 2023-01-21
    Description: X‐ray diffraction with high spatial resolution is commonly used to characterize (poly)crystalline samples with, for example, respect to local strain, residual stress, grain boundaries and texture. However, the investigation of highly absorbing samples or the simultaneous assessment of high‐Z materials by X‐ray fluorescence have been limited due to the utilization of low photon energies. Here, a goniometer‐based setup implemented at the P06 beamline of PETRA III that allows for micrometre spatial resolution with a photon energy of 35 keV and above is reported. A highly focused beam was achieved by using compound refractive lenses, and high‐precision sample manipulation was enabled by a goniometer that allows up to 5D scans (three rotations and two translations). As experimental examples, the determination of local strain variations in martensitic steel samples with micrometre spatial resolution, as well as the simultaneous elemental distribution for high‐Z materials in a thin‐film solar cell, are demonstrated. The proposed approach allows users from the materials‐science community to determine micro‐structural properties even in highly absorbing samples.
    Description: A demonstration of high‐resolution micro X‐ray diffraction at high photon energies for highly absorbing samples.
    Keywords: ddc:548 ; X‐ray diffraction ; high spatial resolution ; high photon energy ; X‐ray fluorescence ; goniometers
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  • 17
    Publication Date: 2023-01-21
    Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. Superposition of numerous reflections originating from a large number of single‐crystal domains of the same and/or different (especially unknown) phases usually precludes the sorting of reflections coming from individual domains, making their automatic indexing impossible. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data. Further indexing of all found subsets can be easily performed using widely accessible crystallographic packages. As the algorithm neither requires a priori crystallographic information nor is limited by the number of phases or individual domains, DAFi is powerful software to be used for studies of multiphase polycrystalline and microcrystalline (powder) materials. The algorithm is validated by testing on X‐ray diffraction data sets obtained from real samples: a multi‐mineral basalt rock at ambient conditions and products of the chemical reaction of yttrium and nitrogen in a laser‐heated diamond anvil cell at 50 GPa. The high performance of the DAFi algorithm means it can be used for processing SC‐XRD data online during experiments at synchrotron facilities.
    Description: This paper presents the Domain Auto Finder (DAFi) program and its application to the analysis of single‐crystal X‐ray diffraction (SC‐XRD) data from multiphase mixtures of microcrystalline solids and powders. The DAFi algorithm is designed to quickly find subsets of reflections from individual domains in a whole set of SC‐XRD data and neither requires a priori crystallographic information nor is limited by the number of phases or individual domains.
    Keywords: ddc:548 ; single‐crystal domain auto finder ; DAFi ; single‐crystal X‐ray diffraction ; polycrystalline samples ; multiphase mixtures
    Language: English
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  • 18
    Publication Date: 2023-01-25
    Description: A newly designed setup to perform steady‐state X‐ray excited optical luminescence (XEOL) spectroscopy and simultaneous XEOL and X‐ray absorption spectroscopy characterization at beamline P65 of PETRA III is described. The XEOL setup is equipped with a He‐flow cryostat and state‐of‐the‐art optical detection system, which covers a wide wavelength range of 300–1700 nm with a high spectral resolution of 0.4 nm. To demonstrate the setup functioning, low‐temperature XEOL studies on polycrystalline CuInSe2 thin film, single‐crystalline GaN thin film and single‐crystalline ZnO bulk semiconductor samples are performed.
    Description: X‐ray excited optical luminescence (XEOL) spectroscopy is increasingly important to understand the interplay between the optical properties, structure and chemical composition, providing insights into the mechanism of radiative recombination for a wide range of materials. This study demonstrates a newly implemented setup to perform steady‐state XEOL and simultaneous XEOL and XAFS characterizations at beamline P65 of PETRA III.
    Keywords: ddc:550.2 ; XEOL ; XAS ; CuInSe2 ; ZnO ; GaN
    Language: English
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  • 19
    Publication Date: 2023-02-28
    Description: © The Author(s), 2023. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Timmermans, M.-L., & Toole, J. The Arctic Ocean’s Beaufort Gyre. Annual Review of Marine Science, 15(1), (2023): 223-248, https://doi.org/10.1146/annurev-marine-032122-012034.
    Description: The Arctic Ocean's Beaufort Gyre is a dominant feature of the Arctic system, a prominent indicator of climate change, and possibly a control factor for high-latitude climate. The state of knowledge of the wind-driven Beaufort Gyre is reviewed here, including its forcing, relationship to sea-ice cover, source waters, circulation, and energetics. Recent decades have seen pronounced change in all elements of the Beaufort Gyre system. Sea-ice losses have accompanied an intensification of the gyre circulation and increasing heat and freshwater content. Present understanding of these changes is evaluated, and time series of heat and freshwater content are updated to include the most recent observations.
    Description: Support was provided by the National Science Foundation Office of Polar Programs and the Office of Naval Research.
    Keywords: Arctic Ocean ; Beaufort Gyre ; Circulation ; Sea ice ; Freshwater ; Ocean heat content
    Repository Name: Woods Hole Open Access Server
    Type: Article
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  • 20
    Publication Date: 2023-03-08
    Description: © The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in LeClerc, H., Tompsett, G., Paulsen, A., McKenna, A., Niles, S., Reddy, C., Nelson, R., Cheng, F., Teixeira, A., & Timko, M. Hydroxyapatite catalyzed hydrothermal liquefaction transforms food waste from an environmental liability to renewable fuel. IScience, 25(9), (2022): 104916, https://doi.org/10.1016/j.isci.2022.104916.
    Description: Food waste is an abundant and inexpensive resource for the production of renewable fuels. Biocrude yields obtained from hydrothermal liquefaction (HTL) of food waste can be boosted using hydroxyapatite (HAP) as an inexpensive and abundant catalyst. Combining HAP with an inexpensive homogeneous base increased biocrude yield from 14 ± 1 to 37 ± 3%, resulting in the recovery of 49 ± 2% of the energy contained in the food waste feed. Detailed product analysis revealed the importance of fatty-acid oligomerization during biocrude formation, highlighting the role of acid-base catalysts in promoting condensation reactions. Economic and environmental analysis found that the new technology has the potential to reduce US greenhouse gas emissions by 2.6% while producing renewable diesel with a minimum fuel selling price of $1.06/GGE. HAP can play a role in transforming food waste from a liability to a renewable fuel.
    Description: This work was funded by the DOE Bioenergy Technology Office (DE-EE0008513), a DOE DBIR (DE-SC0015784) and the MassCEC. The authors thank WenWen Yao, Department of Environmental Science at WPI, for TOC analysis, Mainstream Engineering for heating value characterization of the oil and solid samples, Wei Fan for assistance in obtaining SEM images and, Julia Martin and Ronald Grimm for their assistance in collecting XPS data, and Jeffrey R. Page for his assistance with oil upgrading and analysis. HOL was partially funded for this work by NSF Graduate Research Fellowship award number 2038257. A portion of this work was performed at the National High Magnetic Field Laboratory Ion Cyclotron Resonance user facility, which is supported by the NSF Division of Materials Research and Division of Chemistry through DMR 16-44779 and the State of Florida.
    Keywords: Chemistry ; Chemical engineering ; Catalysis
    Repository Name: Woods Hole Open Access Server
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  • 21
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    Annual Reviews
    In:  EPIC3Annual Review of Marine Science, Annual Reviews, 16(1), pp. 417-441, ISSN: 1941-1405
    Publication Date: 2024-03-01
    Description: The genus Phaeocystis is globally distributed, with blooms commonly occurring on continental shelves. This unusual phytoplankter has two major morphologies: solitary cells and cells embedded in a gelatinous matrix. Only colonies form blooms. Their large size (commonly 2 mm but up to 3 cm) and mucilaginous envelope allow the colonies to escape predation, but data are inconsistent as to whether colonies are grazed. Cultured Phaeocystis can also inhibit the growth of co-occurring phytoplankton or the feeding of potential grazers. Colonies and solitary cells use nitrate as a nitrogen source, although solitary cells can also grow on ammonium. Phaeocystis colonies might be a major contributor to carbon flux to depth, but in most cases, colonies are rapidly remineralized in the upper 300 m. The occurrence of large Phaeocystis blooms is often associated with environments with low and highly variable light and high nitrate levels, with Phaeocystis antarctica blooms being linked additionally to high iron availability. Emerging results indicate that different clones of Phaeocystis have substantial genetic plasticity, which may explain its appearance in a variety of environments. Given the evidence of Phaeocystis appearing in new systems, this trend will likely continue in the near future.
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , peerRev
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  • 22
    Publication Date: 2024-03-05
    Description: Full‐field X‐ray nanoimaging is a widely used tool in a broad range of scientific areas. In particular, for low‐absorbing biological or medical samples, phase contrast methods have to be considered. Three well established phase contrast methods at the nanoscale are transmission X‐ray microscopy with Zernike phase contrast, near‐field holography and near‐field ptychography. The high spatial resolution, however, often comes with the drawback of a lower signal‐to‐noise ratio and significantly longer scan times, compared with microimaging. In order to tackle these challenges a single‐photon‐counting detector has been implemented at the nanoimaging endstation of the beamline P05 at PETRA III (DESY, Hamburg) operated by Helmholtz‐Zentrum Hereon. Thanks to the long sample‐to‐detector distance available, spatial resolutions of below 100 nm were reached in all three presented nanoimaging techniques. This work shows that a single‐photon‐counting detector in combination with a long sample‐to‐detector distance allows one to increase the time resolution for in situ nanoimaging, while keeping a high signal‐to‐noise level.
    Description: A direct photon‐counting detector was used for different nanoimaging phase contrast techniques, increasing the temporal resolution.
    Keywords: ddc:548 ; nanotomography ; full‐field X‐ray microscopy ; near‐field holography ; near‐field ptychography ; Zernike phase contrast ; single‐photon‐counting detector ; phase contrast
    Language: English
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  • 23
    Publication Date: 2024-02-14
    Description: X‐ray crystallography has witnessed a massive development over the past decade, driven by large increases in the intensity and brightness of X‐ray sources and enabled by employing high‐frame‐rate X‐ray detectors. The analysis of large data sets is done via automatic algorithms that are vulnerable to imperfections in the detector and noise inherent with the detection process. By improving the model of the behaviour of the detector, data can be analysed more reliably and data storage costs can be significantly reduced. One major requirement is a software mask that identifies defective pixels in diffraction frames. This paper introduces a methodology and program based upon concepts of machine learning, called robust mask maker (RMM), for the generation of bad‐pixel masks for large‐area X‐ray pixel detectors based on modern robust statistics. It is proposed to discriminate normally behaving pixels from abnormal pixels by analysing routine measurements made with and without X‐ray illumination. Analysis software typically uses a Bragg peak finder to detect Bragg peaks and an indexing method to detect crystal lattices among those peaks. Without proper masking of the bad pixels, peak finding methods often confuse the abnormal values of bad pixels in a pattern with true Bragg peaks and flag such patterns as useful regardless, leading to storage of enormous uninformative data sets. Also, it is computationally very expensive for indexing methods to search for crystal lattices among false peaks and the solution may be biased. This paper shows how RMM vastly improves peak finders and prevents them from labelling bad pixels as Bragg peaks, by demonstrating its effectiveness on several serial crystallography data sets.
    Description: Attention is focused on perhaps the biggest bottleneck in data analysis for serial crystallography at X‐ray free‐electron lasers, which has not received serious enough examination to date. An effective and reliable way is presented to identify anomalies in detectors, using machine learning and recently developed mathematical methods in the field referred to as `robust statistics'. image
    Keywords: ddc:548 ; bad‐pixel masks ; robust mask maker ; machine learning ; robust statistics ; serial crystallography
    Language: English
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  • 24
    Publication Date: 2024-02-14
    Description: Machine learning (ML) has received enormous attention in science and beyond. Discussed here are the status, opportunities, challenges and limitations of ML as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering. Typical strategies are outlined, as well as possible pitfalls. Applications to reflectometry and grazing‐incidence scattering are critically discussed. Comment is also given on the availability of training and test data for ML applications, such as neural networks, and a large reflectivity data set is provided as reference data for the community.
    Description: The status, opportunities, challenges and limitations of machine learning are discussed as applied to X‐ray and neutron scattering techniques, with an emphasis on surface scattering.
    Keywords: ddc:548 ; surface scattering ; X‐ray diffraction ; neutron scattering ; machine learning ; data analysis
    Language: English
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  • 25
    Publication Date: 2024-02-21
    Description: The storage ring upgrade of the European Synchrotron Radiation Facility makes ESRF–EBS the most brilliant high‐energy fourth‐generation light source, enabling in situ studies with unprecedented time resolution. While radiation damage is commonly associated with degradation of organic matter such as ionic liquids or polymers in the synchrotron beam, this study clearly shows that highly brilliant X‐ray beams readily induce structural changes and beam damage in inorganic matter, too. Here, the reduction of Fe3+ to Fe2+ in iron oxide nanoparticles by radicals in the brilliant ESRF–EBS beam, not observed before the upgrade, is reported. Radicals are created due to radiolysis of an EtOH–H2O mixture with low EtOH concentration (∼6 vol%). In light of extended irradiation times during insitu experiments in, for example, battery and catalysis research, beam‐induced redox chemistry needs to be understood for proper interpretation of insitu data.
    Description: With the increased brilliance at the European Research Facility–Extremely Brilliant Source (ESRF–EBS), a beam‐induced reduction of non‐stochiometric iron oxide nanoparticles (almost maghemite composition) to magnetite was observed in a mixture of ethanol and water with low ethanol concentration.
    Keywords: ddc:548 ; beam‐induced radiolysis ; radiation damage on inorganic materials ; ESRF–EBS
    Language: English
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  • 26
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    International Union of Crystallography | 5 Abbey Square, Chester, Cheshire CH1 2HU, England
    Publication Date: 2024-02-22
    Description: Small‐angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. SASfit has been one of the most comprehensive and flexible curve‐fitting programs for decades, with many specialized tools for various fields. Here, a selection of enhancements and additions to the SASfit program are presented that may be of great benefit to interested and advanced users alike: (a) further development of the technical basis of the program, such as new numerical algorithms currently in use, a continuous integration practice for automated building and packaging of the software, and upgrades on the plug‐in system for easier adoption by third‐party developers; (b) a selection of new form factors for anisotropic scattering patterns and updates to existing form factors to account for multiple scattering effects; (c) a new type of a very flexible distribution called metalog [Keelin (2016). Decis. Anal.13, 243–277], and regularization techniques such as the expectation‐maximization method [Dempster et al. (1977). J. R. Stat. Soc. Ser. B (Methodological), 39, 1–22; Richardson (1972) J. Opt. Soc. Am.62, 55; Lucy (1974). Astron. J.79, 745; Lucy (1994). Astron. Astrophys.289, 983–994], which is compared with fits of analytical size distributions via the non‐linear least‐squares method; and (d) new structure factors, especially for ordered nano‐ and meso‐scaled material systems, as well as the Ornstein–Zernike solver for numerical determination of particle interactions and the resulting structure factor when no analytical solution is available, with the aim of incorporating its effects into the small‐angle scattering intensity model used for fitting with SASfit.
    Description: Recent enhancements and additions to the SASfit program are discussed, including anisotropic scattering models, flexible distributions, regularization techniques such as the expectation‐maximization method, and new structure factors, especially for ordered nano‐ and meso‐scaled material. The Ornstein–Zernike solver for numerical structure factors is also introduced. image
    Keywords: ddc:548 ; small‐angle scattering ; SASfit ; numerical models ; structure factors ; form factors ; regularization techniques
    Language: English
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  • 27
    Publication Date: 2024-02-05
    Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons. MIEZE has two prominent advantages compared with classical neutron spin echo. The first is the possibility to investigate spin‐depolarizing samples or samples in strong magnetic fields without loss of signal amplitude and intensity. This allows for the study of spin fluctuations in ferromagnets, and facilitates the study of samples with strong spin‐incoherent scattering. The second advantage is that multi‐analyzer setups can be implemented with comparatively little effort. The use of thermal neutrons increases the range of validity of the spin‐echo approximation towards shorter spin‐echo times. In turn, the thermal MIEZE option for greater ranges (TIGER) closes the gap between classical neutron spin‐echo spectroscopy and conventional high‐resolution neutron spectroscopy techniques such as triple‐axis, time‐of‐flight and back‐scattering. To illustrate the feasibility of TIGER, this paper presents the details of its implementation at the RESEDA beamline at FRM II by means of an additional velocity selector, polarizer and analyzer.
    Description: A modulation of intensity with zero effort (MIEZE) setup is proposed for high‐resolution neutron spectroscopy at momentum transfers up to 3 Å〈sup〉−1〈/sup〉, energy transfers up to 20 meV and an energy resolution in the microelectronvolt range using both thermal and cold neutrons.
    Keywords: ddc:548 ; neutron resonant spin echo ; MIEZE ; quasielastic scattering ; thermal neutrons
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  • 28
    Publication Date: 2024-02-05
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Penetrating, high‐energy synchrotron X‐rays are in strong demand, particularly for high‐pressure research in physics, chemistry and geosciences, and for materials engineering research under less extreme conditions. A new high‐energy wiggler beamline P61 has been constructed to meet this need at PETRA III in Hamburg, Germany. The first part of the paper offers an overview of the beamline front‐end components and beam characteristics. The second part describes the performance of the instrumentation and the latest developments at the P61B endstation. Particular attention is given to the unprecedented high‐energy photon flux delivered by the ten wigglers of the PETRA III storage ring and the challenges faced in harnessing this amount of flux and heat load in the beam. Furthermore, the distinctiveness of the world's first six‐ram Hall‐type large‐volume press, Aster‐15, at a synchrotron facility is described for research with synchrotron X‐rays. Additionally, detection schemes, experimental strategies and preliminary data acquired using energy‐dispersive X‐ray diffraction and radiography techniques are presented.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉The operation of the P61B endstation large‐volume press and optics of P61 are reviewed. The instrumentation at P61B, including the large‐volume press, detection systems and data acquisition for 〈italic〉in situ〈/italic〉 high‐pressure experiments are described.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2ju5040:jsy2ju5040-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:550.724 ; extreme conditions ; high‐pressure ; large‐volume press ; energy‐dispersive X‐ray diffraction ; radiography ; resistive heating ; ultrasonic interferometry ; acoustic emissions detection
    Language: English
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  • 29
    Publication Date: 2023-12-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers: Au, B〈sub〉4〈/sub〉C, diamond, Ni, polystyrene, Ru, Si, SiC, Si〈sub〉3〈/sub〉N〈sub〉4〈/sub〉 and W. Using classical Monte Carlo simulation in the atomic approximation, we study the dependence of the cascade size on the incident electron or photon energy and on the target parameters. The results show that an electron‐induced cascade is systematically larger than a photon‐induced cascade. Moreover, in contrast with the common assumption, the maximal cascade size does not necessarily coincide with the electron range. It was found that the cascade size can be controlled by careful selection of the photon energy for a particular material. Photon energy, just above an ionization potential, can essentially split the absorbed energy between two electrons (photo‐ and Auger), reducing their initial energy and thus shrinking the cascade size. This analysis suggests a way of tailoring the electron cascades for applications requiring either small cascades with a high density of excited electrons or large‐spread cascades with lower electron densities.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉Studying electron‐ and X‐ray‐induced electron cascades in solids is essential for various research areas at free‐electron laser facilities, such as X‐ray imaging, crystallography, pulse diagnostics or X‐ray‐induced damage. To better understand the fundamental factors that define the duration and spatial size of such cascades, this work investigates the electron propagation in ten solids relevant for the applications of X‐ray lasers. Using classical Monte Carlo simulation in the atomic approximation, the dependence of the cascade size on the incident electron or photon energy and on the target parameters is studied.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005775:jsy2gb5123:jsy2gb5123-fig-0001"〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; electron cascades ; X‐ray free‐electron lasers ; Monte Carlo ; photon‐induced cascade ; electron transport
    Language: English
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  • 30
    Publication Date: 2023-12-14
    Description: In Bragg coherent diffractive imaging, the precise location of the measured crystals in the interior of the sample is usually missing. Obtaining this information would help the study of the spatially dependent behavior of particles in the bulk of inhomogeneous samples, such as extra‐thick battery cathodes. This work presents an approach to determine the 3D position of particles by precisely aligning them at the instrument axis of rotation. In the test experiment reported here, with a 60 µm‐thick LiNi0.5Mn1.5O4 battery cathode, the particles were located with a precision of 20 µm in the out‐of‐plane direction, and the in‐plane coordinates were determined with a precision of 1 µm.
    Description: A method to determine the 3D position of particles in Bragg coherent diffractive imaging experiments is proposed. Test measurements demonstrate depth‐resolution with a precision of 20 µm along the beam. image
    Keywords: ddc:548 ; extra‐thick battery cathodes ; Bragg coherent X‐ray diffractive imaging ; battery cathodes ; Bragg diffraction ; sphere of confusion ; 3D mapping
    Language: English
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  • 31
    Publication Date: 2024-01-12
    Description: A split‐and‐delay unit for the extreme ultraviolet and soft X‐ray spectral regions has been built which enables time‐resolved experiments at beamlines FL23 and FL24 at the Free‐electron LASer in Hamburg (FLASH). Geometric wavefront splitting at a sharp edge of a beam splitting mirror is applied to split the incoming soft X‐ray pulse into two beams. Ni and Pt coatings at grazing incidence angles have been chosen in order to cover the whole spectral range of FLASH2 and beyond, up to hν = 1800 eV. In the variable beam path with a grazing incidence angle of ϑd = 1.8°, the total transmission (T) ranges are of the order of 0.48 〈 T 〈 0.84 for hν 〈 100 eV and T 〉 0.50 for 100 eV 〈 hν 〈 650 eV with the Ni coating, and T 〉 0.06 for hν 〈 1800 eV for the Pt coating. For a fixed beam path with a grazing incidence angle of ϑf = 1.3°, a transmission of T 〉 0.61 with the Ni coating and T 〉 0.23 with a Pt coating is achieved. Soft X‐ray pump/soft X‐ray probe experiments are possible within a delay range of −5 ps 〈 Δt 〈 +18 ps with a nominal time resolution of tr = 66 as and a measured timing jitter of tj = 121 ± 2 as. First experiments with the split‐and‐delay unit determined the averaged coherence time of FLASH2 to be τc = 1.75 fs at λ = 8 nm, measured at a purposely reduced coherence of the free‐electron laser.
    Description: The properties of the recently installed split‐and‐delay unit at beamlines FL23 and FL24 at FLASH2 are presented. Its operational range, performance parameters and results of a first experiment are described. image
    Keywords: ddc:550.724 ; time‐resolved pump–probe ; XUV ; soft X‐rays ; free‐electron laser
    Language: English
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  • 32
    Publication Date: 2024-01-12
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉XDSGUI〈/italic〉 is a lightweight graphical user interface (GUI) for the 〈italic〉XDS〈/italic〉, 〈italic〉SHELX〈/italic〉 and 〈italic〉ARCIMBOLDO〈/italic〉 program packages that serves both novice and experienced users in obtaining optimal processing and phasing results for X‐ray, neutron and electron diffraction data. The design of the program enables data processing and phasing without command line usage, and supports advanced command flows in a simple user‐modifiable and user‐extensible way. The GUI supplies graphical information based on the tabular log output of the programs, which is more intuitive, comprehensible and efficient than text output can be.〈/p〉
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉A customizable stateless graphical user interface simplifies the processing, analysis and phasing of diffraction data.〈boxed-text position="anchor" content-type="graphic" xml:lang="en"〉〈graphic position="anchor" id="jats-graphic-1" xlink:href="urn:x-wiley:16005767:jcr2yr5110:jcr2yr5110-fig-0001"〉 〈alt-text〉image〈/alt-text〉 〈/graphic〉〈/boxed-text〉〈/p〉
    Keywords: ddc:548 ; X‐ray diffraction ; neutron diffraction ; electron diffraction ; data processing ; graphical user interfaces ; phasing ; XDS ; ARCIMBOLDO ; SHELX
    Language: English
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  • 33
    Publication Date: 2024-04-25
    Description: 〈p xmlns:mml="http://www.w3.org/1998/Math/MathML" xml:lang="en"〉〈italic〉INSIGHT〈/italic〉 is a Python‐based software tool for processing and reducing 2D grazing‐incidence wide‐ and small‐angle X‐ray scattering (GIWAXS/GISAXS) data. It offers the geometric transformation of the 2D GIWAXS/GISAXS detector image to reciprocal space, including vectorized and parallelized pixel‐wise intensity correction calculations. An explicit focus on efficient data management and batch processing enables full control of large time‐resolved synchrotron and laboratory data sets for a detailed analysis of kinetic GIWAXS/GISAXS studies of thin films. It processes data acquired with arbitrarily rotated detectors and performs vertical, horizontal, azimuthal and radial cuts in reciprocal space. It further allows crystallographic indexing and GIWAXS pattern simulation, and provides various plotting and export functionalities. Customized scripting offers a one‐step solution to reduce, process, analyze and export findings of large 〈italic〉in situ〈/italic〉 and 〈italic〉operando〈/italic〉 data sets.〈/p〉
    Keywords: ddc:548 ; grazing‐incidence X‐ray scattering ; time‐resolved studies ; in situ studies ; operando studies ; computer programs
    Language: English
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  • 34
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    Annual Reviews
    In:  EPIC3Annual Review of Marine Science, Annual Reviews, 16(1), pp. 513-536, ISSN: 1941-1405
    Publication Date: 2024-01-31
    Description: 〈jats:p〉 For decades, multiple-driver/stressor research has examined interactions among drivers that will undergo large changes in the future: temperature, pH, nutrients, oxygen, pathogens, and more. However, the most commonly used experimental designs—present-versus-future and ANOVA—fail to contribute to general understanding or predictive power. Linking experimental design to process-based mathematical models would help us predict how ecosystems will behave in novel environmental conditions. We review a range of experimental designs and assess the best experimental path toward a predictive ecology. Full factorial response surface, fractional factorial, quadratic response surface, custom, space-filling, and especially optimal and sequential/adaptive designs can help us achieve more valuable scientific goals. Experiments using these designs are challenging to perform with long-lived organisms or at the community and ecosystem levels. But they remain our most promising path toward linking experiments and theory in multiple-driver research and making accurate, useful predictions. 〈/jats:p〉
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , peerRev
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  • 35
    Publication Date: 2024-03-13
    Description: The PERCIVAL detector is a CMOS imager designed for the soft X‐ray regime at photon sources. Although still in its final development phase, it has recently seen its first user experiments: ptychography at a free‐electron laser, holographic imaging at a storage ring and preliminary tests on X‐ray photon correlation spectroscopy. The detector performed remarkably well in terms of spatial resolution achievable in the sample plane, owing to its small pixel size, large active area and very large dynamic range; but also in terms of its frame rate, which is significantly faster than traditional CCDs. In particular, it is the combination of these features which makes PERCIVAL an attractive option for soft X‐ray science.
    Keywords: ddc:548 ; X‐ray detectors ; soft X‐rays ; ptychography ; holographic imaging ; XPCS ; detectors
    Language: English
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  • 36
    facet.materialart.
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    Annual Reviews
    In:  EPIC3Annual Review of Marine Science, Annual Reviews, 15(1), pp. 509-538, ISSN: 1941-1405
    Publication Date: 2024-05-10
    Description: The regular movements of waves and tides are obvious representations of the oceans’ rhythmicity. But the rhythms of marine life span across ecological niches and timescales, including short (in the range of hours) and long (in the range of days and months) periods. These rhythms regulate the physiology and behavior of individuals, as well as their interactions with each other and with the environment. This review highlights examples of rhythmicity in marine animals and algae that represent important groups of marine life across different habitats. The examples cover ecologically highly relevant species and a growing number of laboratory model systems that are used to disentangle key mechanistic principles. The review introduces fundamental concepts of chronobiology, such as the distinction between rhythmic and endogenous oscillator–driven processes. It also addresses the relevance of studying diverse rhythms and oscillators, as well as their interconnection, for making better predictions of how species will respond to environmental perturbations, including climate change. As the review aims to address scientists from the diverse fields of marine biology, ecology, and molecular chronobiology, all of which have their own scientific terms, we provide definitions of key terms throughout the article.
    Repository Name: EPIC Alfred Wegener Institut
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  • 37
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 4546-4550 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The properties of high-resistivity InP with resistivity up to 107 Ω cm, obtained by thermal diffusion of Cu at 800 °C for over 20 h into undoped and p-type InP samples, are investigated. Hall-effect measurements showed that the compensation mechanism in the slowly cooled sample is different from that in the quickly cooled samples. Photoluminescence was quenched in the quickly cooled samples when annealed at 350 °C and the anneal temperature at which the sample resistivity and carrier mobility reached the maximum. It is shown that the electrical compensation in the slowly cooled sample could be understood by a simple deep-level compensation model. However, the semi-insulating behavior of the quickly cooled samples appears to be consistent with an internal Schottky depletion model associated with the Cu precipitates. The photoluminescence quenching is due to the Cu precipitates acting as effective nonradiative recombination centers.
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  • 38
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 4551-4556 
    ISSN: 1089-7550
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    Topics: Physics
    Notes: Iron pyrite thin films prepared by flash evaporation of pyrite powder have been annealed at different temperatures in a sulfur atmosphere. We present some results on the influence of the annealing temperature (from 250 to 450 °C) on the optical and electrical properties of three groups of samples with different thicknesses ((approximately-equal-to)0.3, 0.6, and 1 μm, respectively). Sulfuration temperature has a clear influence on the optical absorption and electrical resistivity of the films, with some differences in their behavior depending on the film thickness. In light of the available present knowledge of pyrite thin films, interpretation of the obtained results is difficult, it suggests that the shape of the optical absorption curves (and their absorption edge) at low photon energies is determined by the density of point defects, which decreases on increasing the annealing temperature. On the other hand, the electrical resistivity seems to be influenced by both the film grain size and point defect density.
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  • 39
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 839-847 
    ISSN: 1089-7550
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    Topics: Physics
    Notes: Self-consistent nonequilibrium fluid models of both the two-dimension (2D) and one-dimension (1D) are presented. In the 2D simulations, the models evaluate the quantitative effects of both radial and axial flow dynamics inside a cylindrically symmetric parallel-plate geometry. The 1D model assumes that the radius of the electrode is much larger than the electrode gap and the moment distributions are uniform along the radial direction. The models are based on the first three moments of the Boltzmann equation and Poisson's equation. Radio frequency (rf) glow discharge simulations from those two fluid models are presented and compared in this study. The comparisons are presented in terms of plasma density, electric field, mean energy, and ionization rate. Results of the 1D fluid model are close to those at the center of the reactor from the 2D simulations. Nonuniform profiles along the radial direction are obtained from the 2D simulations due to the radial dynamics. Higher electron mean energy in the middle region of the radial sheath is observed. The maximum ionization rate is located in the radial sheath region and agrees with the experimental observation.
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  • 40
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 825-831 
    ISSN: 1089-7550
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    Topics: Physics
    Notes: In this paper a model of charged particle behavior in a low-pressure oxygen plasma is developed, and compared with experimental results. Agreement is excellent. It is demonstrated that the extremely high temperature ((approximately-greater-than)1 eV) of electrons in these plasmas results in diffusion totally dominating the transport of charged species. It is also shown that charged particle recombination on the walls of a quartz reactor is insignificant. Finally, the influence of the electron temperature profile must be fully considered for accurate results. This work complements an earlier model of radical behavior in these plasmas. Both are needed to fully understand materials modification in these plasmas, which has been shown to involve a synergism between radicals and charged species.
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  • 41
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 853-861 
    ISSN: 1089-7550
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    Topics: Physics
    Notes: Large particles (tens of nm to tens of μm in diameter) are problematic in low-pressure (〈1 Torr) plasma processing (etching, deposition) discharges because they can contaminate the product and can perturb electron transport. Although the source of these particles has been studied by a number of groups, a definitive explanation is still lacking. In this paper, we theoretically investigate the role of negative ions in the formation of large clusters, the precursors to particles, in low-pressure plasmas. We find that the formation of particles requires a critically large cluster. Forming the critically large cluster requires longer residence times in the plasma than is usually possible if clustering involves only neutral particles. We propose that negatively charged intermediates, which are trapped in electropositive plasmas, increase the average residence time of clusters to allow the growth of critically large clusters.
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  • 42
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 868-871 
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    Topics: Physics
    Notes: Swift heavy ion irradiation-induced defects have been studied in n-type germanium at room temperature using deep level transient spectroscopy. Several electron traps have been observed after irradiation. The corresponding energies have been determined to be at Ec−0.22, Ec−0.275, Ec−0.29, Ec−0.32, and Ec−0.465 eV. The isochronal annealing behavior of these traps has been studied in detail between room temperature and 200 °C. Comparison of our results with previously published ones allowed an identification of these defects with complexes like divacancies or associations of vacancies with impurities.
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  • 43
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 862-867 
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    Topics: Physics
    Notes: The temporal behavior of the cathode sheath in 30 kHz 0.4–1 Torr H2 discharges has been investigated by optical emission spectroscopy. Analysis of the Stark splitting of plasma-induced H Balmer delta emission was used to measure the electric field with spatial and temporal resolution in the instantaneous cathode sheath. The location of the plasma/sheath boundary was determined from the position of the maximum of the H2 d 3Πu→a 3Σg+ (0,0) Q1 emission at 622.5 nm. Both methods showed that the sheath width increases as the cathode voltage becomes more negative, whereas the width remains constant as the applied voltage drops off. Analysis of the electric-field profile provided information on the time evolution of the ion density close to the electrode during the cathode half-cycle, in agreement with recent numerical calculations. At the beginning of the anodic half-cycle an intense flash of plasma-induced emission was observed, localized within 3 mm from the electrode.
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  • 44
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 877-883 
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    Topics: Physics
    Notes: Hollow glass fibers can guide x rays because glancing-angle collisions with a smooth glass surface are highly reflective. Surface roughness decreases this reflectivity. We have developed relatively simple expressions for the effects of surface roughness on x-ray scattering, and we relate our results to the theoretical efficiency of x-ray lenses formed from bundles of hollow glass fibers.
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  • 45
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 884-890 
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    Topics: Physics
    Notes: Positron lifetime spectroscopy and two-dimensional angular correlation of annihilation radiation have been used to investigate grown-in vacancy structures in synthetic crystalline α-SiO2, synthetic fused quartz, and in a 60-μm-thick chemical-vapor-deposited amorphous SiO2 film. For α-SiO2 a ∼300 ps lifetime component suggests trapping by either silicon monovacancies or by oxygen divacancies (or both). The vacancies are neutral and present at a concentration level of 1017/cm3. The positron bulk lifetime for α-SiO2 is estimated to be ∼238 ps in good agreement with semiempirical predictions. In the fused quartz significant positronium formation is found (80%) and the remaining positrons annihilate in voids yielding a lifetime of ∼500 ps. The amorphous SiO2 film contains a mixture of small vacancy clusters and voids and ∼30% of the positrons form positronium. Heat treatment above 950 °C results in a substantial reduction in defect concentration, but up to 1100 °C a small vacancy cluster contribution persists. The positron data indicate that positronium formation in the fused quartz and in the amorphous film takes place in the voids.
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  • 46
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 872-876 
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    Topics: Physics
    Notes: X-ray photoelectron spectroscopy has been used to study the surface composition and chemistry of two perovskites: SrTiO3 and Pb(Zr,Ti)O3 (commonly known as PZT). It is seen that ion bombardment, which is a common surface modification technique, can cause substantial changes in these oxides. The PZT surface undergoes surface depletion of lead along with chemical reduction of the Pb2+ ion to its metallic state. The Zr/(Ti+Zr) ratio also changes with sputtering, but the total oxygen to cation ratio is unchanged. On the other hand, the surface stoichiometry of SrTiO3 is almost unaffected by ion bombardment. In all the perovskites, irrespective of whether the composition changes or not, a substantial amount of surface Ti is reduced to a lower valency state on sputtering. Most of this component is restored back to the original Ti4+ state when Ni is evaporated on these surfaces, indicating that the reduced state is associated with a damaged outermost surface that can be repaired with an adsorbate. The implication of these results to the bonding properties of these materials have been discussed.
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  • 47
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 4102-4104 
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    Topics: Physics
    Notes: The spin pinning in the oxide surface layer has been observed directly, and it is considered a possible reason why the oxide layer leads to the decrease of the specific saturation magnetization for fine iron particles. The pinning depth has been estimated by means of a Mössbauer effect under an applied field of 6 T in a thermal-cycle process. The Debye temperature of the oxide layer and the temperature dependence of f2/f1 have been obtained, where f1 and f2 are the Mössbauer recoilless fractions for the inner α-Fe core and the oxide layer, respectively. Furthermore, the estimation for the thickness of an oxide layer has been improved.
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    Journal of Applied Physics 74 (1993), S. 4105-4112 
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    Topics: Physics
    Notes: A theory of collective translational vibrations of 90° domain walls (DWs) in ferroelectric ceramics is presented. Vibrational motions of DWs forming a regular domain structure of a representative grain are assumed to be completely correlated but independent of DW oscillations in other grains. A dynamic mechanical stress field appearing in a ceramic because of DW vibrations is calculated. In contrast to former studies, this calculation takes into account effects due to the lagging of sound waves emitted by oscillating DWs and gives a general expression for the dynamic mechanical restoring force acting on DWs. From this expression we derive the equation of sustained forced DW vibrations in an oscillating external electric field that is valid for a wide frequency range including microwave frequencies. A general solution of this equation is found, which enables us to compute numerically the dependencies of amplitude and phase of DW vibrations on the frequency ω of the applied electric field. It is shown that in the low-frequency range ω〈ω*=ct/g (ct=velocity of transverse sound wave, g=grain size) the general equation of DW vibrations can be reduced to a simplified equation that includes the static restoring force, the inertial reaction, and the radiation reaction self-force of the DWs emitting sound waves. Analytic expressions are derived for the DW effective mass and for the factors characterizing the static restoring force and the radiation reaction. The contribution of DW vibrations to the complex dielectric constants of ferroelectric ceramics is calculated. It is predicted that at very high frequencies ω(very-much-greater-than)ω* the DW contribution to the real part of permittivity strongly decreases due to clamping of DWs. In this frequency range a peak of dielectric losses should also arise being caused by the emission of sound waves from oscillating DWs. It is emphasized that the above effects can be correctly described on the base of the general equation of DW vibrations only.
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    Journal of Applied Physics 74 (1993), S. 4121-4124 
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    Topics: Physics
    Notes: A phenomenological model has been applied in an attempt to explain the inability of the ordered regions in the lead magnesium niobate family of relaxor ferroelectrics to coarsen. This approach is based on the concept that the free energy is lowered by an embryonic decomposition along a non-neutral direction. It is proposed that the excess free energy associated with the formation of the non-neutral phase is offset by the distortability of the perovskite structure toward the pyrochlore. The lack of coarsening is then explained as a balance of the electrostatic energy and gradient energy terms, following an earlier published report. This model is then applied to the La-modified (donor-doped) lead magnesium niobate, to explain the dependence of the size of the ordered regions on the degree of doping as observed by other workers.
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  • 50
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 4113-4120 
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    Topics: Physics
    Notes: Charge injection leading to catastrophic breakdown has been used to study the dielectric properties of the buried oxide layer in silicon implanted with high-energy oxygen ions. Current versus gate bias, current versus time, and capacitance versus gate bias were used to characterize, at various temperatures, MOS metal-oxide-semiconductor capacitors with areas in the 1×10−4–1×10−2 cm2 range fabricated with commercially available single- or triple-implant separation by implanted oxygen silicon wafers. The data show that injected charge accumulates in the buried oxide at donorlike oxide traps ultimately leading to catastrophic breakdown. Both Poole–Frenkel and Fowler–Nordheim conduction, as well as impact-ionization mechanisms, have been identified in the oxide. The charge and field to breakdown in the best buried oxides are, respectively, near 1 C cm−2 and 10 MV cm−1, similar to the thermally grown oxide parameters. Cumulative distributions of these parameters measured over a large number of capacitors show that the frequency of breakdown events caused by extrinsic defects is scaled with the capacitor area. Intrinsic and extrinsic defect distributions are broader than with thermally grown oxides.
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    Journal of Applied Physics 74 (1993), S. 4125-4129 
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    Topics: Physics
    Notes: Zinc (Zn) is doped into GaSe single crystals grown by the Bridgman technique in a wide range from 0.005 to 0.5 at. % to the stoichiometric melt. Radiative recombination mechanisms have been investigated by using photoluminescence (PL) measurements. The PL spectra in Zn-doped samples at 77 K are dominated by three emission bands at 1.75, 1.63, and 1.27 eV. The 1.63 and 1.27 eV emission bands are enhanced with the increase in the amount of Zn. In addition to the results of Hall effect measurements, it is found that the 1.63 and 1.27 eV emission bands are associated with the acceptor levels at 0.12 and 0.3 eV above the valence band, respectively. For the 1.27 eV emission band, the temperature dependences of the PL intensity, peak energy, and half-width are characterized by the configurational coordinate model.
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    Journal of Applied Physics 74 (1993), S. 4598-4607 
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    Topics: Physics
    Notes: High-field effects in metal-oxide-semiconductor capacitors have been studied in detail. A comprehensive set of experiments, stressing identically fabricated capacitors on both P-type and N-type silicon, both in accumulation and in inversion, has been made to study defect generation in the oxide at high fields. There is clear experimental evidence that both bulk hole and electron traps are generated under all stress conditions. High-field prebreakdown properties depend mainly upon the dynamics of generation of traps, trapping and detrapping at these and in previously existing traps. It has been found that of several processes, some dominate, depending upon the type of silicon and polarity during stressing, and this is also true for the final breakdown mechanism. In this paper the dominant mechanisms are identified for each of the field stress conditions that have been studied.
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    Notes: The heavy-hole and light-hole excitons of a CdTe epilayer, pseudomorphically grown on an InSb epilayer by molecular beam epitaxy, are studied with a diamond anvil cell as a function of applied hydrostatic pressure via photoluminescence (PL) and photomodulated reflectivity (PR) spectroscopies. They are compared with the excitonic features in the simultaneously measured PL spectra of a sample of bulk CdTe. Under applied pressure, the lattice mismatch-induced splitting between the light-hole and heavy-hole related transitions increases in a continuous and reversible manner because of the additional pressure-induced compression due to the difference in the compressibilities of CdTe and InSb. The unusually large strain sustained by the CdTe epilayer under pressure is discussed in the light of various models. The PR signal vanishes after the InSb epilayer goes through a structural phase transition at approximately 20 kbar, while the PL signal persists until it is irreversibly quenched by the CdTe epilayer undergoing a structural phase transition at approximately 30 kbar. For pressures between 20 and 30 kbar, the behavior of the CdTe epilayer is similar to that of the bulk sample; the strain appears to have been relaxed due to the structural phase transition which has taken place in InSb. Values of the first- and second-order pressure coefficients for bulk CdTe and for the CdTe epilayer as well as values of the hydrostatic and shear deformation potentials are obtained at 14 and 80 K and compared with previously quoted values.
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    Notes: This article discusses a low-temperature photoluminescence (PL) and electroabsorption (EA) study of GaxIn1−xAs/Ga0.22In0.78As0.48P0.52 single quantum well (QW) samples prepared by gas-source molecular beam epitaxy. The linewidth of PL emitted from these single QW samples increases monotonically with increasing QW strain. EA measurements on the same samples reveal a multipeaked response on the high energy side of the PL spectrum. The energy separation of the EA features corresponds to that expected for differences in QW thickness of one monolayer. The observed PL broadening results from PL emanating from different regions of the same well, differing in thickness, while the Stokes shift results from migration of excitons to wider well regions. Spectral features are lost at large strain which is attributed to strain-enhanced roughening of the QW surface during the crystal deposition.
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    Journal of Applied Physics 74 (1993), S. 4153-4157 
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    Topics: Physics
    Notes: We report photoluminescence (PL) results obtained on p-type ZnSe epilayers grown by molecular beam epitaxy. As an acceptor dopant, we used an active nitrogen beam produced by a free radical nitrogen source. On the basis of a detailed analysis of PL data we propose a simple semiquantitative method for a quick and contactless evaluation of the net acceptor concentration in p-type ZnSe. In particular, we show that the intensity ratio of the donor–acceptor pair (DAP) emission to the acceptor-bound exciton (I1) emission strongly depends on both the excitation power and the quality of the sample, and because of that it cannot by itself be regarded as a good measure of the net acceptor concentration. On the other hand, the intensity of the DAP emission under saturation excitation shows a simple direct proportionality to the net acceptor concentration, thus providing a reliable tool for determining the relative doping level in p-type ZnSe films.
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    Journal of Applied Physics 74 (1993), S. 4158-4162 
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    Topics: Physics
    Notes: Polymer films containing 4-alkoxy-3-chlorobenzoic acid heated to 140 °C showed two optically different states at room temperature depending on the cooling rate. If after heating the film cooled rapidly, it froze in the transparent state. In contrast, it reverted to the light scattering state when cooled slowly. Cycles between the two optical states were reproducible, therefore these films may offer potential as a rewritable recording material. The reversibility in the optical transmittance may be caused by a reversible change in the crystal size of the acid in the polymer matrix.
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    Journal of Applied Physics 74 (1993), S. 963-968 
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    Topics: Physics
    Notes: Ultraviolet pulsed laser induced oxidation kinetics of crystalline germanium (c-Ge) is determined from real-time optical measurements in conjunction with absolute measurements of the oxygen incorporation performed by nuclear reaction analysis. Although the oxidation process can be triggered at laser fluences initially below the melting threshold of c-Ge, it is strongly activated when surface melting occurs and therefore the fast oxidation process observed is mainly a thermally activated process. Because an optical coupling between the oxide layer and the c-Ge underneath, the growth kinetics is complex and leads to nonconstant rates. The oxygen incorporation reaches a saturation value which depends both on the laser fluence and the oxygen pressure. The results show that the oxygen incorporation is limited by an overlapped laser-induced material removal process rather than by the diffusion length of oxygen species.
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    Journal of Applied Physics 74 (1993), S. 4651-4659 
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    Topics: Physics
    Notes: We have investigated melt-spun Pr-Co alloys with the objective of optimizing their permanent magnet characteristics. Among a variety of elemental additives studied, carbon was found capable of significantly improving the properties, the coercivity in particular. For binary Pr-Co systems optimum values of the remanence, Br=5.7 kG, intrinsic coercivity, Hci=5.8 kOe, and energy product, (BH)max=4.7 MG Oe, were obtained from the Pr16Co84 composition. These values were enhanced to Br=5.8 kG, Hci=16.5 kOe, and (BH)max=7.4 MG Oe for Pr18Co76C6. In both cases the melt-spun ribbons were principally composed of PrCo5. The 16.5 kOe coercivity of the carbon-containing ribbons is the highest ever reported for a PrCo5-based material. Two new rare earth-cobalt phases were tentatively identified during the course of this work: PrCo7 (hexagonal TbCu7 structure) and PrCo2Cx (cubic MgCu2 structure). Survey results for other melt-spun, RCo5-based alloys are also described.
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    Journal of Applied Physics 74 (1993), S. 4643-4650 
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    Notes: The microstructural origin of magnetic anisotropy in a magnetron in-line sputter-deposited CoPtCr/Cr magnetic thin-film disk was examined by mapping magnetic properties and microstructure. The film coercivity (Hc), remanence-thickness product (Mrδ), and coercivity squareness (S*) were determined as a function of radial (r) and angular (θ) co-ordinates using a transfer curve magnetometer. The observed variations in Hc, Mrδ, and S* across the disk were 85 Oe, 0.15 emu/cm2, and 0.03, respectively. The angular variation in magnetic properties showed a sinusoidal pattern with the maxima corresponding to the regions where the tracks were parallel (θ=270°) to the pallet movement direction. High-resolution scanning transmission electron microscopy showed subtle differences in the Co-alloy grain morphology and crystallographic orientation between θ=270° and θ=360° locations. The grains were equiaxed in general except for a small fraction of grains elongated in the direction of pallet movement. Lattice images clearly showed that about 45% of the Co-alloy grains had in-plane c axes and a preferred alignment of the c axes along the texture groove. A greater preference for the c axes to lie along the texture line was observed for the θ=270° location. A coherency stress-based model is proposed to explain the preferred c-axis alignment. While the crystalline anisotropy appears to be the main factor responsible for the magnetic anisotropy, both crystalline and shape anisotropies contribute to the magnetic anisotropy variations.
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    Journal of Applied Physics 74 (1993), S. 4664-4672 
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    Topics: Physics
    Notes: Insulating barium titanate films were successfully grown on Ti-deposited silicon substrates using the hydrothermal method. The film thickness was 35 and 49 nm for films treated at 200 and 250 °C, respectively, in a 0.25 M Ba(OH)2 solution for 8 h. The BaTiO3 films did not reach the Ti/Si interface. X-ray photoelectron spectroscopy revealed OH-free and nearly carbon-free films, which was corroborated using Auger electron spectroscopy (AES) depth analysis. AES revealed that the oxygen and barium concentrations are correlated throughout the film, and the existence of a diffuse BaTiO3/Ti interface. A discussion on the film growth mechanism is made using existing information on the subject.
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    Journal of Applied Physics 74 (1993), S. 4660-4663 
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    Notes: Magnetoresistance, antiferromagnetic coupling, and crystallographic orientation of Co/Cu superlattices with intentionally mixed interfaces have been studied as a function of the thickness of the mixed region. The antiferromagnetic coupling is weakened, and spin-independent scattering of free electrons is enhanced with increasing thickness of the mixed region, although the morphology and the superlattice period remain unchanged. Saturation magnetoresistance is reduced from 27% to 4% as the result of the formation of a 0.15 nm mixed region at the interfaces. Moreover, the crystallographic orientation of Co/Cu superlattices is also found to be varied by formation of the mixed region. Giant magnetoresistance, antiferromagnetic coupling, and the crystallinity of Co/Cu superlattices are governed by the events in the thin region at the interfaces less than 1 monolayer.
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    Journal of Applied Physics 74 (1993), S. 4685-4690 
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    Topics: Physics
    Notes: The effects on the reflectance spectra of zinc oxide powders, of heat treatment, and of mechanical grinding were investigated for both undoped and aluminum-doped ZnO. A broad absorptance band at 390–400 nm was induced in the undoped powders both by heating in air and by grinding. From a comparison with electron paramagnetic resonance data from the literature, the band could be related to oxygen vacancies. It was found that aluminum doping suppresses the band formation induced by grinding; however, the doping does not suppress the band formation induced by heat treatment.
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  • 63
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 4673-4680 
    ISSN: 1089-7550
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    Topics: Physics
    Notes: Hydrogenated amorphous carbon films were prepared from CH4, H2, and Ar mixtures by plasma enhanced chemical vapor deposition. Films with various physical properties resulting from various deposition conditions were utilized for this study. The varying deposition parameters included H2 flow rates, Ar flow rates, total pressures, substrate temperatures, and power densities. A systematic study regarding the relationship between deposition conditions and the microstructures, optical, and thermal properties was conducted. Furthermore, how the optical and thermal properties related to the microstructures was analyzed. Fourier transform infrared spectroscopy was employed in this paper for determining the hydrogen concentration and the amounts of tetrahedral and trigonal bondings associated with C—H bond and their relative ratio while the optical properties were measured by optical spectrophotometer. Additionally, photothermal deflection spectroscopy was applied for the measurements of thermal diffusion length.
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  • 64
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 4681-4684 
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    Topics: Physics
    Notes: The relationship between the magnitude of the piezoelectric field and the degree of lattice constant mismatch is investigated via low-temperature photoluminescence measurements of the quantum-confined Stark effect for a series of (111)B Al0.15Ga0.85As-InyGa1−yAs pseudomorphic quantum well heterostructures. The experimental strain-induced electric field values agree well with theoretical calculations for indium mole fractions in the range 0.037≤y≤0.09. In addition, an anomalous saturation of the photoluminescence transition energy is observed at values of applied voltage greater than that required to nullify the piezoelectric field, despite the indication from separate electroreflectance measurements that the net electric field within the quantum well reverses polarity under similar electrical biasing conditions.
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  • 65
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 7044-7047 
    ISSN: 1089-7550
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    Topics: Physics
    Notes: Laser assisted particle removal (LAPR) is an innovative laser cleaning technique which can remove various particles from solid surfaces via laser induced explosive evaporation of a chosen energy transfer medium, e.g., water. An Ar+ ion continuous-wave laser (488 nm) was used to study the CO2 laser pumped explosive evaporation of water adsorbed on a Si substrate. The probe laser beam was parallel to the sample surface at different displacements and interacted with the ejected material upon pulsed CO2 laser irradiation in analogy with the time resolved laser beam deflection experiments on laser induced vaporization of copper by Guo et al. [Opt. Commun. 77, 381 (1990)]. Using CO2 laser energies which are much greater than the LAPR thresholds, we observed the generation and propagation of a shock wave at supersonic speeds followed by a water vapor/aerosol/particle cloud at a much slower speed. From the evolution of the shock wave, the total conversion efficiency of the incident laser beam into the shock wave has been determined using a self-similar approximation.
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  • 66
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 2681-2685 
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    Topics: Physics
    Notes: Two types of YBa2Cu3Oy-La0.7Ca0.3MnOz-YBa2Cu3Oy (YBCO-LCMO-YBCO) coplanar-type junctions with a 0.2 μm gap were fabricated by electron-beam lithography and Ar-ion-beam milling. One is a junction in which a current flows into the a-b plane (ferromagnetic spin arrangement) of the LCMO and then passes through the channel along the c axis (antiferromagnetic arrangement), and the other is a junction in which the current only passes through the a-b plane. In the former junction the current-voltage characteristics show nonlinearity which suggests a superconductive linkage, while the latter has linear characteristics. This anisotropy of the proximity effect is attributed to anisotropy of the spin structure, because the LCMO film has a small anisotropy of the normal decay length in the a-b plane and along the c axis.
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  • 67
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 2701-2704 
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    Topics: Physics
    Notes: RFe2 laves phase intermetallic compounds are promising materials for magnetostrictive applications. To obtain a larger magnetostriction in a low magnetic field, the influence of boron addition on the giant magnetostriction of an amorphous (SmFe2) (1−x) at. % B (x) at. % alloy has been examined. In the amorphous alloy, the saturation magnetostriction anomalously increases, while the saturation magnetization decreases with the increase in x. The highest saturation magnetostriction of −670×10−6 at 10 kOe and its effective magnetostriction of −490×10−6 at 0.3 kOe can be obtained for amorphous (SmFe2) 99.26 at. % B 0.74 at. % alloy. This effective giant magnetostriction obtained in a low magnetic field is larger than those reported in previous researches. I attribute this anomalous giant magnetostriction in a low magnetic field to the increment of elastic energy in the amorphous (SmFe2) (1−x) at. % B (x) at. % alloy.
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 2725-2730 
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    Topics: Physics
    Notes: Effects of interfaces such as metal/polymer interfaces and polymer/polymer interfaces on the space-charge distribution in multiply low-density polyethylene have been investigated using a pulsed electroacoustic method. It has been found that the heterocharge was dominant in an artificial interface existing in a polyethylene sample. The time dependence of the heterocharge distribution in the interface on applied voltages and polarity was studied. From these charge distributions, the modified electrical field was calculated based on Poisson's equation. The calculated result indicated that the actual field was stronger than the applied uniform field at the artificial interface. A new data display method for a three- or two-dimensional plot is employed to display all measurement data on one plot in which the space charge becomes visible so that the results can be easily and conveniently understood.
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  • 69
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    Journal of Applied Physics 74 (1993), S. 7078-7084 
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    Topics: Physics
    Notes: The thermal diffusivity measurement through pulsed photodeflection in a modified collinear configuration is presented and discussed; comparison between theory and experiment is also shown.
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  • 70
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 7094-7100 
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    Notes: A theory is presented to explain the observed electron emission characteristics of a hollow-cathode-based plasma source. The theory is compared with measurements made in a laboratory vacuum facility and is used to predict emission characteristics when the source plasma expands into an ambient space plasma. Crucial to understanding the observed emission current-voltage characteristic of hollow-cathode-type devices is the recognition of the role of emission current, not just the current in the main discharge circuit, in ionization of the neutral gas flowing through the device. This ionization can lead to breakdown of the sort that is familiar in many gas discharge devices. Equally crucial to understanding the low impedance capability of the device in coupling spacecraft to an ambient space plasma is recognition of the role of escaping as well as trapped source electrons in the formation of the space potential profile. The presence of these electrons, according to the theory, results in space electron emission current-voltage characteristics which are well approximated by those observed in laboratory chambers.
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    Journal of Applied Physics 74 (1993), S. 4729-4736 
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    Topics: Physics
    Notes: The neutral and charged species emitted by pulsed-laser irradiation of polytetrafluoroethylene (PTFE) at 248 nm in vacuum have been examined. In particular, the species and properties of the emission products produced at typical fluence regimes used in the pulsed-laser deposition of PTFE thin films have been characterized. The relative intensities of the major products as well as their dependence on laser fluence are presented, and a simple model is used to fit the observed fluence dependence. Evidence that the major neutral component, the monomer (C2F4), is formed from a thermally activated unzipping reaction is presented. The ionic species are derived from the neutral decomposition products, apparently ionized by electron collisions in the weak plasma generated at the target surface.
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    Journal of Applied Physics 74 (1993), S. 4737-4740 
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    Notes: Impurity doping in InP layer grown by metalorganic vapor-phase epitaxy using tertiarybutylphosphine and organic doping sources is presented. Diethylzinc and diethylselenide were used as the p-type and n-type doping sources, respectively. Electrical properties and surface morphology of the impurity-doped layers together with their growth condition dependence were investigated. Good controllability and reproducibility of the doping level were confirmed. The maximum doping levels of 1.8×1018 and 1×1019 cm−3 were successfully attained for p-InP and n-InP, respectively. These results promise further safe metalorganic vapor-phase epitaxy by using organic compounds for all precursors.
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    Journal of Applied Physics 74 (1993), S. 3103-3110 
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    Topics: Physics
    Notes: In a previous report [G. P. Watson, D. G. Ast, T. J. Anderson, and Y. Hayakawa, Appl. Phys. Lett. 58, 2517 (1991)] we demonstrated that the motion of misfit dislocations in InGaAs, grown by organometallic vapor phase epitaxy on patterned GaAs substrates, can be impeded even if the strained epitaxial layer is continuous. Trenches etched into GaAs before growth are known to act as a barrier to misfit dislocation propagation [E. A. Fitzgerald, G. P. Watson, R. E. Proano, D. G. Ast, P. D. Kirchner, G. D. Pettit, and J. M. Woodall, J. Appl. Phys. 65, 2220 (1989)] when those trenches create discontinuities in the epitaxial layers; but even shallow trenches, with continuous strained layers following the surface features, can act as barriers. By considering the strain energy required to change the length of the dislocation glide segments that stretch from the interface to the free surface, a simple model is developed that explains the major features of the unique blocking action observed at the trench edges. The trench wall angle is found to be an important parameter in determining whether or not a trench will block dislocation glide. The predicted blocking angles are consistent with observations made on continuous 300 and 600 nm thick In0.04Ga0.96As films on patterned GaAs. Based on the model, a structure is proposed that may be used as a filter to yield misfit dislocations with identical Burgers vectors or dislocations which slip in only one glide plane.
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    Journal of Applied Physics 74 (1993), S. 3126-3130 
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    Notes: Near-surface regions of Cd1−xMnxTe and Hg1−xCdxTe epilayers (down to tens of angstroms) on (001) GaAs substrates have been characterized by extremely asymmetric Bragg reflection topography (EABRT) with the laboratory x-ray source condition and a Lang camera, using x-ray grazing incidence angles less than the critical angle for total external reflection. The experimental topographs obtained in the present work illustrate the potential of the EABRT technique for nondestructive characterization of near-surface regions of crystals. The resolution of an image in EABRT is discussed in detail.
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    Journal of Applied Physics 74 (1993), S. 3144-3149 
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    Notes: The enthalpies of formation of metastable fcc Ag-Cu solid solutions, produced by ball milling of elemental powders, were determined by differential scanning calorimetry. Experimental thermodynamic data for these metastable alloys and for the equilibrium phases are compared with both calculation of phase diagrams (CALPHAD) and atomistic simulation predictions. The atomistic simulations were performed using the free-energy minimization method (FEMM). The FEMM determination of the equilibrium Ag-Cu phase diagram and the enthalpy of formation and lattice parameters of the metastable solid solutions are in good agreement with the experimental measurements. CALPHAD calculations made in the same metastable regime, however, significantly overestimate the enthalpy of formation. Thus, the FEMM is a viable alternative approach for the calculation of thermodynamic properties of equilibrium and metastable phases, provided reliable interatomic potentials are available. The FEMM is also capable of determining such properties as the lattice parameter which are not available from CALPHAD calculations.
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    Journal of Applied Physics 74 (1993), S. 3150-3155 
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    Notes: The diffusion of δ-function-shaped B- and Sb-dopant spikes in thin Si films grown by solid-phase-epitaxy [(SPE), growth of amorphous film by molecular-beam epitaxy (MBE) at room temperature and subsequent regrowth in situ] during annealing in vacuum is compared to diffusion in films grown by low-temperature (LT) MBE. Diffusion temperatures from 750 to 900 °C, and two-dimensional concentrations of 0.7–1.6×1014 cm−2 have been investigated. The diffusive behavior of dopants in SPE films is found to be qualitatively different from that in films grown by LTMBE. This is related to the vacancylike defects that are intrinsic to growth by SPE but not to growth by LTMBE. Dopant profiles widen significantly during SPE regrowth, making the achievement of δ-function dopant spikes impossible. After a vacuum anneal the diffusion coefficients for both n- and p-type dopants are lower in SPE films than the corresponding values in films grown by LTMBE by up to one order of magnitude. The diffused depth profile of the dopant in LTMBE films shows the characteristic deviation from a pure Gaussian that is expected due to the concentration dependence of diffusion, i.e., a flat top and steep shoulders. In contrast, dopant depth profiles of SPE-grown material show after diffusion a central spike and relatively flat shoulders. The width of the central spike is, after an initial transient that it was not possible to resolve, independent of diffusion time and temperature. This indicates that the SPE material is defective, with the defects acting as traps during diffusion.
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    Journal of Applied Physics 74 (1993), S. 3162-3171 
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    Topics: Physics
    Notes: Ultrathin GaAs wires as thin as 15–40 nm and about 2 μm long have been grown on a GaAs substrate by metal-organic vapor-phase epitaxy. The wires, which consist of whiskers, are grown between 380 and 550 °C using trimethylgallium and arsine (AsH3) as source materials. It is found that the wire growth direction is parallel to the [111] arsenic dangling-bond direction and can be perfectly controlled by the crystallographic orientation of the GaAs substrate surface. From transmission electron microscopic analysis it is revealed that the crystal structure of the wire coincides with the zinc-blende type for the growth temperature range of 460–500 °C, but it changes to the wurtzite type at 420 °C and temperatures higher than 500 °C. It is also found that the wires have a twin-type structure around the [111] growth axis for zinc blende and [0001] growth axis for wurtzite. Photoluminescence study of these wires shows that the luminescence peak energy shifts to a higher energy as the wire width decreases from 100 to about 35 nm. In terms of luminescence polarization it is confirmed that the luminescence intensity parallel to the wires is four times greater than that perpendicular to the wires. These results clearly indicate the quantum-size effect of carriers confined in the wire. As a preliminary application to devices, a p-n junction has been formed along the GaAs wire. Light emission by current injection to the p-n junction wires has been observed in continuous operation at room temperature.
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    Journal of Applied Physics 74 (1993), S. 3181-3188 
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    Topics: Physics
    Notes: The existence of partially correlated roughness in multilayer thin films is demonstrated using x-ray diffraction diffuse-intensity distribution measurements. The method is generally applicable and produces, in addition to values of magnitudes of interfacial roughness and its lateral correlation length, a measure of the cross correlation between interfaces separated by intermediate ones. A simple phenomenological model can describe roughness in W/C multilayers prepared under standard conditions. A cumulative roughness function is used to show that the wavelength range in which the interfacial roughness predominates in these layers lies between 50 A(ring) and 2000 A(ring) and that the long-wavelength roughness replicates better than the short-wavelength roughness.
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    Journal of Applied Physics 74 (1993), S. 3194-3203 
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    Topics: Physics
    Notes: Film-substrate interactions of YBa2Cu3O7−x (YBCO) thin films grown by pulsed laser deposition on alkaline earth fluoride substrates were investigated. X-ray photoelectron spectroscopy, atomic force microscopy, and x-ray-diffraction measurements showed that the quality of the film and amount of chemical reaction between film and substrate were dependent on the substrate material and deposition temperature. The reaction of YBCO films with CaF2 and MgF2 substrates forms BaF2 and calcium or magnesium oxide species. The reacted film is insulating and has a microscopically rough surface. No reaction was detected in films deposited on BaF2 and SrF2. Physical and thermodynamic properties which may explain the observed order of reactivity are examined.
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    Journal of Applied Physics 74 (1993), S. 3215-3218 
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    Topics: Physics
    Notes: We analyze the role of coherent terahertz radiation on the ultrafast electron dynamics of laser excited photoconductors. Generation of electromagnetic radiation is included within the framework of the usual hot carrier transport theory. A Monte Carlo scheme is used to study the resulting changes in the nonequilibrium electronic energy and transient drift velocity. Our results reveal a density dependent decrease in both quantities, due to reductions in the internal electric fields caused by radiative energy outflow. At densities above 2×1017 cm−3, we obtain a decrease in the transient velocity and expect delays in the onset of phonon emission.
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    Journal of Applied Physics 74 (1993), S. 3219-3223 
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    Notes: The steady state and transient drift velocity of holes in silicon have been investigated using Monte Carlo techniques. The valence band is modeled by warped nonparabolic heavy and light hole bands, and a spherical spin-orbit band. The nonparabolicity of the heavy and light hole bands is included using piecewise continuous functions. The calculated velocities are in better agreement with experimental steady state drift velocity values compared to previous Monte Carlo calculations using only a heavy hole band. Transient calculations show the magnitude of the velocity overshoot for holes is smaller than electrons in silicon but is significantly higher than the steady state drift velocity when high fields are applied.
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    Journal of Applied Physics 74 (1993), S. 7264-7268 
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    Topics: Physics
    Notes: The dc and ac conductivity of single crystal and glass of Li2B4O7 have been measured at various temperatures. It has been shown that these materials are mixed conductors in which electronic and ionic conduction coexist. In the single crystals, both the electronic conduction and ionic conduction along the c axis are much smaller than that perpendicular to the c axis. The anisotropy in the electronic conduction is considered to be due to the conduction by the π electron of the BO3 layer located on the (001) crystallographic plane. The anisotropy in the ionic conduction is also considered to be due to the diffusion of Li ions and/or protons between the BO3 layers. The thermal activation energies of the electronic conduction were 0.65 eV for glass, 1.61 eV for the crystal parallel to the c axis, and 0.78 eV for the crystal perpendicular to the c axis. The activation energy of the ionic conduction was 0.46 eV for the crystal perpendicular to the c axis.
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    Journal of Applied Physics 74 (1993), S. 2968-2970 
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    Topics: Physics
    Notes: It is shown that a combination of low-temperature photoluminescence and luminescence excitation spectroscopies together with appropriate modelization can provide the precise information needed for a thorough control of interdiffusion in quantum well structures. A fit of observed and calculated transition energies up to five energy levels, using the interdiffusion length as a unique parameter, is considered. The potentiality of this procedure to fully characterize the interdiffusion process is illustrated by considering the examples of lightly and heavily intermixed GaAs-AlGaAs multiquantum wells.
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    Journal of Applied Physics 74 (1993), S. 2977-2979 
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    Topics: Physics
    Notes: A photoluminescence study has been made on an oxygen-containing Si fine structure fabricated by a gas evaporation technique. Transmission electron micrographs have shown that the fine structure is composed of nonspherical particles aggregated together in chain-like or cluster-like structures. The luminescence from the samples after oxidation treatment is bright blue as viewed with the naked eye, the spectra having a peak at about 470 nm or shorter wavelength. A peculiar temperature dependence of the emission peak indicates that the emission is strongly correlated with some structural change in the fine structure.
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    Journal of Applied Physics 74 (1993), S. 2983-2985 
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    Topics: Physics
    Notes: Superconducting YBa2Cu3O7−δ thin films with Tc=89.5 K were deposited on MgLaAl11O19 (11¯0) substrates by pulsed laser deposition. X-ray diffraction patterns indicate that the YBa2Cu3O7−δ films were epitaxial films, with the c axis perpendicular to the substrate surfaces. Microstrip resonators of YBa2Cu3O7−δ thin films deposited on MgLaAl11O19 substrates were fabricated. The loaded quality factor of the resonator was 1007 at 77 K and 4.28 GHz. As a new substrate for high Tc oxide superconducting films, MgLaAl11O19 substrates are especially suitable for superconducting-microwave applications.
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    Journal of Applied Physics 74 (1993), S. 1469-1472 
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    Topics: Physics
    Notes: Barrier penetration is attributed to energy fluctuations expected from the uncertainty principle. Numerical simulations are made by calculating the traversal time and action for a large number of possible velocity profiles. Distributions of traversal time are determined by assuming that the probability of each velocity profile decreases exponentially with the action of the fluctuation it requires. Distributions of traversal times are reported for rectangular barriers having different sizes. For large barriers the distributions are leptokurtic and centered at the semiclassical traversal time T0 = d(square root of)m/[2(V0−E)], where d and V0 are the length and height of the barrier and m and E are the mass and energy of the particle. The kurtosis decreases and the mode shifts to shorter durations with decreasing barrier size.
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    Journal of Applied Physics 74 (1993), S. 7306-7310 
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    Topics: Physics
    Notes: We have found that a nonquantizing weakly p-doped InP/Ga0.47In0.53As/InP heterostructure exhibits a photovoltage as high as 2 V at 120 K for moderate light excitation power densities of a few mW/cm2. The back electrical contact is ohmic and the front rectifying contact is established through a thin silver layer. We have monitored as a function of reverse bias applied to the structure the internal photoemission current and also the external photoemission current, due to electrons emitted into vacuum after lowering the surface work function by cesium and oxygen adsorption. Both of these dependences exhibit strong effects of the excitation power density. The dependence of the photovoltage as a function of external bias is obtained using photoreflectance. As shown by a simple model, this gigantic photovoltage arises from accumulation of photoexcited carriers in the Ga0.47In0.53As layer because of the existence of energy barriers with the neighboring InP layers. The different electron and hole transfer probabilities across these barriers result in a strong change of the potential of the Ga0.47In0.53As layer under light excitation.
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    Journal of Applied Physics 74 (1993), S. 7315-7320 
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    Topics: Physics
    Notes: We propose a new method of making heavily doped n-type GaAs to a very shallow depth using sulfur hexafluoride (SF6) plasma treatment of the GaAs surface. Semi-insulating GaAs substrate implanted with Si was exposed to a sulfur containing SF6 plasma and capped with silicon nitride anneal cap. During a subsequent anneal step at an elevated temperature to electrically activate the implanted Si, the sulfur diffused into GaAs to a shallow depth of ∼600 A(ring) resulting in further enhancement of net carrier concentration. With this technique the carrier concentration near the surface region was almost doubled compared to samples with Si implantation only. The enhanced carrier concentration improved the wafer-scale variation of ohmic contact resistance using AuGeNi contact metals from 0.089±0.073 to 0.049±0.017 Ω mm. The surface chemistry of SF6 plasma treated GaAs surface was characterized by x-ray photoelectron spectroscopy and Auger electron spectroscopy, and the results were compared with the carrier-concentration profiles and ohmic contact resistance.
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    Journal of Applied Physics 74 (1993), S. 7329-7339 
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    Topics: Physics
    Notes: Electron coincidence spectroscopy in an ultrahigh vacuum scanning transmission electron microscope has been used to study the generation pathways for secondary (SE) and Auger electrons (AE) excited by high-energy incident electrons. Energy and momentum transfer of inelastically scattered 100 keV primary electrons have been correlated with energy selected SE and AE for both thin 〈111〉 oriented Si crystals and amorphous C films. Coincidence spectra from the valence excitation region indicate that bulk plasmon decay is not the primary production channel for SE in Si(111) and that SE result partially from the decay of ionizations from deep in the valence band. Energy deposition by the primary beam is responsible for SE production at excitation energies above the valence region. At most one SE is emitted from the entrance surface of a thin film for each inelastically scattered 100 keV primary electron. An enhancement in both the SE yield and generation probability is observed at the C K ionization edge. Correlations between energy loss electrons in the vicinity of the C K ionization edge and energy selected SE near the C KLL AE energy show a very sharp threshold in the generation probability. High-momentum transfer (spatially localized) inelastic scattering events are more efficient at creating SE than low-momentum transfer events. The high-spatial resolution obtained in SE images is explained using the Heisenberg uncertainty principle and the scattering angle dependence of the SE generation probability.
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3061-3064 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A steep plasma edge in infrared reflectivity spectra of Hg1−xCdxTe and HgSe:Fe has been observed. It is predicted that the edge is sensitive to the variation of carrier concentration, which indicates the possibility of developing a fast light-controlled switch for infrared radiation as well as a new approach of infrared modulation and detection. The modulation gain in power and detectivity limited by the generation-recombination process has been calculated and compared with the photoconductive counterpart.
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  • 91
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3065-3070 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The transfer of energy between the plasma and the iron anode and the evaporation of metal were taken into account in modeling a short free-burning arc in argon at atmospheric pressure. The presence of metal vapor in the plasma modifies the electrical conductivity and the radiated power and leads to arc cooling in the anode region. In return, the arc cooling modifies the rate of vaporization of the anode and thus the calculated concentration of iron vapor in the arc.
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  • 92
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3080-3083 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Six samples of congruently melting lithium niobate (∼Li0.95Nb1.01O3) have been examined by powder x-ray diffraction for the occurrence of niobium antisite defects (niobium on lithium sites). Contrary to current thinking, we have found no evidence for the occurrence of high concentrations of such defects, which also require the presence of Nb site vacancies. Rather, it was found that the number of antisite defects is close to the minimum that is required to sustain charge neutrality in a model of the type ([Li1−xNbx/5][Nb]O3), where the Nb site is fully occupied.
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  • 93
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3071-3079 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The plasma plume induced by pulsed CO2 laser irradiation of a Ti target at power densities up to 4×108 W cm−2 was studied by emission spectroscopy. Time- and space-resolved measurements were performed by varying laser intensity, laser temporal pulse shape, ambient gas pressure, and the nature of the ambient gas. Experimental results are discussed by comparison with usual models. We show that shock wave and plasma propagation depend critically on the ratio Ivap/Ii, Ivap being the intensity threshold for surface vaporization and Ii the plasma ignition threshold of the ambient gas. Spectroscopic diagnostics of the helium breakdown plasma show maximum values of electron temperature and electron density in the order of kTe∼10 eV and ne=1018 cm−3, respectively. The plasma cannot be described by local thermodynamic equilibrium modeling. Nevertheless, excited metal atoms appear to be in equilibrium with electrons, hence, they can be used like a probe to measure the electron temperature. In order to get information on the role of the plasma in the laser-surface interaction, Ti surfaces were investigated by microscopy after irradiation. Thus an enhanced momentum transfer from the plasma to the target due to the recoil pressure of the breakdown plasma could be evidenced.
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  • 94
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3084-3090 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Crystallization temperatures of a-Si:H films deposited on GaAs substrates by a glow-discharge method increased with an increase in the concentration of As doped into the a-Si:H films. Crystallization of a-Si:H films with an As concentration of 2×1020 cm−3 started at a temperature of about 1050 °C. These a-Si:H films also had a large amounts of H and SiH3.
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  • 95
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3091-3098 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The conductivity and the impurity profiles of InP implanted with dopant ions (Si,Be) or non dopant ions (B,H,N,O,P) have been investigated. Experiments have been done in substrates with and without Fe doping. Low-temperature, short-time annealing of implanted Si and Be reveals an n-type distribution of carriers which cannot be accounted for on the basis of implant activation. In order to examine the contribution without the carriers originating from the dopant ions, the behavior of electrically inactive B, H, N, O, and P, implants was investigated. Implantation of these ions into semi-insulating InP introduced n-type doping in the 1×1016 cm3 range after an anneal above 450 °C. For H, O, N, and P ions, the n-type conductivity could be eliminated by annealing at higher temperatures. However, boron anneals up to 750 °C did not eliminate the n-type conductivity. The n-type carrier profiles tracked the ion profiles. The carrier profile is influenced by the redistribution of the Fe during annealing; however, the Fe motion cannot explain the n-type conductivity. This conductivity may be due to a complex formed above 450 °C.
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  • 96
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3099-3102 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have investigated proton implantation enhanced intermixing of GaAs/AlGaAs quantum wells for H+ doses ranging from 5×1013 to 1×1016 ions/cm2. Implantation of 20 keV H+ followed by a high temperature rapid thermal anneal leads to enhanced diffusion of Al into the GaAs quantum well. Shifts of electron–heavy hole recombination energies due to compositional changes were observed using room temperature cathodoluminescence. Diffusion lengths of longer than 2 nm were calculated from energy shifts in a 5 nm well and were found to vary with both implanted dose and anneal time, as expected if the enhanced interdiffusion is caused by implantation introduced defects.
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  • 97
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3111-3120 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The influence of various rubbing parameters on the molecular reorientation of thin polyimide orienting layers, used to align liquid-crystal (LC) molecules within liquid-crystal displays, has been studied. For this purpose the optical phase retardation in the polymer layer, explicitly induced during the rubbing treatment, was determined. The observed rubbing-induced phase retardation can directly be related to a molecular orientation within the polymer orienting layer, as could be shown by infrared dichroism studies. Furthermore, it is found that the top of the polymer layer, directly contacting the rubbing cloth during the actual rubbing process, is almost instantaneously oriented to a certain maximum value as soon as the rubbing is started. Additional or stronger rubbing has no detectable influence on the orientation within the top layer. Increasing the rubbing density or the rubbing pressure only results in an increase of the penetration depth of the rubbing process, i.e., molecular reorientation occurs deeper within the layer. Experiments show that the penetration depth can be varied from less than 10 nm to more than 60 nm by variation in rubbing conditions. These findings are supported by surface second-harmonic-generation studies of LC monolayers deposited onto rubbed orienting layers and by infrared dichroism studies.
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  • 98
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 3121-3125 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: This paper illustrates the procedure for extracting structural information available from x-ray diffraction space mapping and topography. The methods of measuring, the residual strain, macroscopic tilts, microscopic tilts and their lateral dimensions, and the strain field disruption emanating from the interfacial defects are presented. Partially relaxed thick InGaAs layers on GaAs substrates were studied and it was concluded that the relaxation and macroscopic tilting were anisotropic, the microscopic tilting reduced with thickness, and the interfacial disruption did not continue to increase with increasing relaxation. A "mosaic grain growth'' model is postulated to account for the diminishing microscopic tilt spread and increasing topographic contrast with layer thickness.
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  • 99
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 1744-1746 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Metal adhesion to polymers depends on the chemical structure at the interface. In the present work, we study the evaporation of Cr, Ti, and Au onto Teflon PFA (perfluoromethyl-vinyl-ether) substrates, and we modify the interface by post-deposition x-ray irradiation. In situ x-ray photoelectron spectroscopy shows that deposition of reactive metals such as Cr and Ti leads immediately to crosslinking and to the formation of carbide and fluoride species. Less reactive metals, such as Au, cause only small loss of fluorine without formation of any new species. The metal/PFA interface is strongly affected by x-ray irradiation in the case of Cr and Ti: remarkably enhanced crosslinking has been observed, which further increases with the metal coverage, while the carbides and fluorides remain basically unaffected. On the other hand, crosslinking increases only very slightly for pure PFA and for the Au/PFA interface, regardless of the Au thickness. These results suggest that radical recombination reactions are responsible for crosslinking at the interface between PFA and reactive metals.
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  • 100
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    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 1776-1780 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A method for parameter identification in grazing incidence x-ray reflectometry is presented. It is based on a nonlinear least-squares approach with on-line low-pass filtering and fits the measured reflectivity curve as a function of the incidence angle to a simulation model. The filter is applied in the (angular) frequency domain; it introduces, even for strong filtering, no bias and renders the result independent of the angular stepsize of the data. Automatic restarting helps to determine the global solution. The commonly used roughness model is generalized to non-normal distributions in order to assess data with large scattering vectors. The method is demonstrated for data from single and double film samples. Thickness and roughness can be determined with an accuracy of about 0.2 nm. However, only in special cases it is possible to determine accurately materials constants such as compositional fractions or densities. Absorption cannot be neglected, but the corresponding parameters are difficult to determine separately.
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