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  • bond-valence methodcoordination numberscrystal radiibond-valence parametersbond softness  (2)
  • grazing-incidence small-angle X-ray scatteringGISAXSbeam footprintlithographic inspectiongratings  (2)
  • perovskiteferroelectricpowder neutron diffraction  (2)
  • International Union of Crystallography (IUCr)  (6)
  • American Chemical Society
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  • International Union of Crystallography (IUCr)  (6)
  • American Chemical Society
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  • 1
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-09-02
    Keywords: bond-valence methodcoordination numberscrystal radiibond-valence parametersbond softness
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 2
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-08-04
    Description: Based on a description of bond valence as a function of valence electron density, a systematic bond softness sensitive approach to determine bond-valence parameters and related quantities such as coordination numbers is elaborated and applied to determine bond-valence parameters for 706 cation–anion pairs. While the approach is closely related to the earlier softBV parameter set, the new softNC1 parameters proposed in this work may be simpler to apply in plausibility checks of crystal structures, as they follow the first coordination shell convention. The performance of this softNC1 bond-valence parameter set is compared with that of the previously derived softBV parameter set that also factors in contributions from higher coordination shells, and with a benchmarking parameter set that has been optimized following the conventional choice of a universal value of the bond-valence parameter b. The results show that a systematic adaptation of the bond-valence parameters to the bond softness leads to a significant improvement in the bond-valence parameters, particularly for bonds involving soft anions, and is safer than individual free refinements of both R0 and b from a limited number of reference cation environments.
    Keywords: bond-valence methodcoordination numberscrystal radiibond-valence parametersbond softness
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 3
    Publication Date: 2018-06-26
    Description: An error in the paper by Pflüger, Soltwisch, Probst, Scholze & Krumrey [IUCrJ (2017), 431–438] is corrected.
    Keywords: grazing-incidence small-angle X-ray scatteringGISAXSbeam footprintlithographic inspectiongratings
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 4
    Publication Date: 2017-05-25
    Description: Grazing-incidence small-angle X-ray scattering (GISAXS) is often used as a versatile tool for the contactless and destruction-free investigation of nanostructured surfaces. However, due to the shallow incidence angles, the footprint of the X-ray beam is significantly elongated, limiting GISAXS to samples with typical target lengths of several millimetres. For many potential applications, the production of large target areas is impractical, and the targets are surrounded by structured areas. Because the beam footprint is larger than the targets, the surrounding structures contribute parasitic scattering, burying the target signal. In this paper, GISAXS measurements of isolated as well as surrounded grating targets in Si substrates with line lengths from 50 µm down to 4 µm are presented. For the isolated grating targets, the changes in the scattering patterns due to the reduced target length are explained. For the surrounded grating targets, the scattering signal of a 15 µm × 15 µm target grating structure is separated from the scattering signal of 100 µm × 100 µm nanostructured surroundings by producing the target with a different orientation with respect to the predominant direction of the surrounding structures. As virtually all lithographically produced nanostructures have a predominant direction, the described technique allows GISAXS to be applied in a range of applications, e.g. for characterization of metrology fields in the semiconductor industry, where up to now it has been considered impossible to use this method due to the large beam footprint.
    Keywords: grazing-incidence small-angle X-ray scatteringGISAXSbeam footprintlithographic inspectiongratings
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 5
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    International Union of Crystallography (IUCr)
    In: IUCrJ
    Publication Date: 2017-04-27
    Keywords: perovskiteferroelectricpowder neutron diffraction
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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  • 6
    Publication Date: 2017-03-09
    Description: The perovskite Li0.2Na0.8NbO3 is shown, by powder neutron diffraction, to display a unique sequence of phase transitions at elevated temperature. The ambient temperature polar phase (rhombohedral, space group R3c) transforms via a first-order transition to a polar tetragonal phase (space group P42mc) in the region 150–300°C; these two phases correspond to Glazer tilt systems a−a−a− and a+a+c−, respectively. At 500°C a ferroelectric–paraelectric transition takes place from P42mc to P42/nmc, retaining the a+a+c− tilt. Transformation to a single-tilt system, a0a0c+ (space group P4/mbm), occurs at 750°C, with the final transition to the aristotype cubic phase at 850°C. The P42mc and P42/nmc phases have each been seen only once and twice each, respectively, in perovskite crystallography, in each case in compositions prepared at high pressure.
    Keywords: perovskiteferroelectricpowder neutron diffraction
    Electronic ISSN: 2052-2525
    Topics: Geosciences , Physics
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