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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 890-898 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A modification of the CI(SD) energy functional is proposed which leads to size consistency through the use of partial normalization denominators. The method is derived from simple principles: correct description of separated two-electron systems and certain invariance requirements. This approach is connected to CEPA-1. The theoretical framework allows for a simple rationalization of connections between CI(SD), CEPA-1, and the linear version of CP–MET. As demonstrative applications we report comparisons with full CI calculations for BH, NH3, H2O, HF, and Re, De for F2, N2, O2, Cl2, NO, and CO obtained for very large basis sets.
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 80 (1996), S. 440-447 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The origin and interpretation of the Raman features of amorphous (hydrogenated) carbon films deposited at room temperature in the region of 1000–1700 cm−1 is discussed in this paper. Possible interpretations of the linewidths, positions of the "G'' graphite peak and "D'' disordered peak, and their intensity ratios are examined using results obtained from magnetron sputtered and magnetic field enhanced plasma deposited films. It is shown that even small "clusters'' of condensed benzene rings (cluster size below 20 A(ring)) in carbon films can explain the observed Raman scattering. Besides the care that should be taken in the correct interpretation of Raman results, the utility of Raman scattering in obtaining an estimate of cluster sizes in amorphous (hydrogenated) carbon films is discussed. Carbon films prepared by magnetron sputtering show two additional Raman features at 1180 and 1490 cm−1 in addition to the G and D peaks. It is shown that a correlation exists between the 1180 cm−1 peak and the sp3 content in the films. © 1996 American Institute of Physics.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 4388-4396 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The process of bias enhanced nucleation of microwave chemical vapor deposited diamond on silicon has been extensively characterized using plasma diagnostics, scanning and transmission electron microscopy (TEM), Raman spectroscopy, and x-ray diffraction. The nucleation kinetics were measured as a function of bias voltage, methane partial pressure, and substrate temperature. The nucleation is found to be transient in character, with a delay time followed by an exponential increase in nucleation density with time, and finally a saturation. The ion flux and ion energy distribution was measured by a retarding field probe. The nucleation density was found to reach a maximum at a bias at which the ion energy distribution has a maximum of 80 eV, independent of the substrate temperature. This is taken as strong evidence that nucleation enhancement involves ion subplantation. The Raman spectra and x-ray diffraction suggests that the films during nucleation consist primarily of sp2 bonded noncrystalline carbon. The presence of the (0002) interlayer graphitic peak suggests that the carbon is primarily graphitic. The diamond nuclei form in this matrix. TEM shows mainly amorphous hillocks being formed on the substrates by bias enhanced nucleation. Diffraction patterns and high resolution TEM reveal the presence of β-SiC and also a small number of diamond particles. © 1996 American Institute of Physics.
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  • 4
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 79 (1996), S. 1416-1422 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Highly tetrahedral, dense amorphous carbon (ta-C) films have been deposited using rf sputtering of graphite by an unbalanced magnetron with intense dc Ar-ion plating at low temperatures (〈70 °C). The ratio of the argon ion flux to neutral carbon flux Φi/Φn is about 5. The film density and compressive stress are found to pass through a maximum of 2.7 g/cm3 and 16 GPa, respectively, at an ion plating energy of about 100 eV. Experiments with higher ion flux ratios of Φi/Φn=10 show that it is possible to deposit carbon films with densities up to 3.1 g/cm3 and sp3 contents up to 87%. Deposition of ta-C in this experiment when the energetic species is Ar appears to require a minimum stress of 14 GPa to create significant sp3 bonding, which contrasts with the continuous increase in sp3 content with stress when the energetic species is C ions themselves. These results are used to discuss possible deposition mechanisms. © 1996 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 82 (1997), S. 6024-6030 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Amorphous carbon films with high sp3 content were deposited by magnetron sputtering and intense argon ion plating. Above a compressive stress of 13 GPa a strong increase of the density of the carbon films is observed. We explain the increase of density by a stress-induced phase transition of sp2 configured carbon to sp3 configured carbon. Preferential sputtering of the sp2 component in the carbon films plays a minor role compared to the sp2⇒sp3 transition at high compressive stress formed during the deposition process. Transmission electron microscopy shows evidence of graphitic regions in the magnetron sputtered/Ar plated amorphous carbon thin films. Differences in the microstructure of the tetrahedral amorphous carbon (ta–C) films deposited by filtered arc and mass selected ion beam; and those films deposited using magnetron sputtering combined with intense ion plating can be used to explain the different electronic and optical properties of both kinds of ta–C films. © 1997 American Institute of Physics.
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  • 6
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: A new Rowland monochromator with a fixed output slit, which operates according to the grazing-incidence scheme, is described. The device is notable for the capability to change the Rowland radius within 1–3 m. The monochromator was tested using synchrotron radiation from the storage ring VEPP-2M.
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  • 7
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 69 (1996), S. 497-499 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Diamond crystallites up to 40 nm in size have been grown from a highly ionized plasma beam of acetylene for ion energies close to 100 eV per C atom and substrate temperatures above 450 °C. This shows that diamond can be grown by physical vapor deposition from an ion-rich plasma as well as by chemical vapor deposition from a radical-rich plasma. The formation mechanism is argued to be one of nucleation and growth rather than a stress induced transformation from graphite. © 1996 American Institute of Physics.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 84 (1998), S. 2071-2081 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Nitrogenated and hydrogenated amorphous carbon (a-C:H:N) films have been deposited by a plasma beam source using a gas mixture of C2H2, Ar and N2. The Ar/C2H2 ratio is kept constant at a ratio of 3, with the nitrogen flow allowed to vary. Nonnitrogenated films, with Ar/C2H2 ratios of 3 and 6 were also deposited and analyzed before attempting to identify the modifications to the microstructural properties due to nitrogen doping. The nitrogenated and hydrogenated a-C (a-C:H:N) films deposited in this study reveal interesting properties with regard to their optical gap, electrical conductivity, and mobility of the charge carriers. The optical E04 gap passes through a maximum of 2.7 eV as a function of incorporated nitrogen. The electrical conductivity, too, reaches a peak value of 10−3(Ω cm)−1 with increasing optical gap and remains constant for higher N2 flows. The electrical conductivity process is thermally activated with activation energies in the range 0.1–0.3 eV. This is discussed in terms of the mobility of the charge carriers (determined by Hall measurements) and electronic doping. The defect density (measured by electron spin resonance) is found to decrease with increasing nitrogen incorporation. The films have also been characterized by infrared spectroscopy, photo thermal deflection, and Raman spectroscopy. The microstructure of the deposited a-C:H:N films is discussed in terms of the electronic density of states. © 1998 American Institute of Physics.
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  • 9
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 68 (1996), S. 909-911 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Cubic boron nitride (c-BN) thin films have been deposited by unbalanced rf (13.56 MHz) magnetron sputtering of a hexagonal boron nitride target in a pure argon discharge. Deposition parameters have been 300 W rf target power, 8×10−4 mbar argon pressure, 3.5 cm target substrate distance, and 800 K substrate temperature. Under these conditions the ion current density is 2.25 mA/cm2 and the growth rate is ∼1.1 A(ring)/s. By applying a rf substrate bias the ion plating energy is varied from plasma potential of 37 eV up to 127 eV. The films have been characterized by infrared (IR) and Auger electron spectroscopy (AES), x-ray diffraction (XRD), x-ray reflectivity, elastic recoil detection (ERD), Rutherford backscattering (RBS), nuclear resonance analysis (NRA), and stress measurements. The subplantation model proposed by Lifshitz and Robertson can be applied to the c-BN formation. An energy of about 85±5 eV is found where the stress (25 GPa, 200 nm film thickness) and the c-BN content ((approximately-greater-than)90%) have a maximum. The grain size of the crystalline c-BN phase was estimated to be in the range of 5 nm. Below an energy of 67±5 eV no c-BN could be detected. An excellent adhesion has been obtained by a special interface treatment. © 1996 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 66 (1995), S. 3287-3289 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The nucleation of diamond on Si is enhanced for negative substrate bias of 200–250 V. We show that the ion flux is the critical factor causing the enhanced nucleation. The ion energy distribution has a maximum at about 80 eV, the optimum to subplant C ions into a-C. We propose that subplantation causes deposition of nanocrystalline graphitic C, and that diamond nucleates where the graphitic planes are locally oriented perpendicular to the surface. An atomic model is proposed that allows a matching of the diamond, graphite, and Si lattice. © 1995 American Institute of Physics.
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