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  • 1990-1994  (203)
  • 1985-1989  (174)
  • 1955-1959  (34)
  • 1945-1949  (4)
  • 1900-1904  (3)
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  • 11
    Electronic Resource
    Electronic Resource
    Calculated structures for [001] symmetrical tilt grain boundaries in silicon (1991)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 69 (1991), S. 2048-2056 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The structures of [001] tilt boundaries in silicon have been systematically investigated by computer modeling, using the harmonic Keating potential to describe the interatomic forces. The full angular range of symmetrical tilt boundaries can be described in terms of linear combinations of characteristic groupings of atoms. More than one stable relaxed structure has been found for most grain boundaries. In all cases the relaxed bicrystal consists of localized groups of pure edge or 45° dislocation cores embedded in a tetrahedrally coordinated, stable structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.348730
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    Paper (German National Licenses)
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  • 12
    Electronic Resource
    Electronic Resource
    Raman scattering study of InAs/GaInSb strained layer superlattices (1991)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 70 (1991), S. 5608-5614 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We present a Raman scattering study of the InAs/GaInSb superlattice. This new superlattice is promising as a long wavelength infrared detector material. The samples were grown by molecular beam epitaxy and their structural parameters were determined by Rutherford backscattering and x-ray diffraction. Samples were grown on [001] GaAs substrates with GaSb buffers, and directly on [001] GaSb substrates. Cross-sectional transmission electron micrographs show that for the samples grown on GaAs substrates, a high density of dislocations was generated at the GaAs-GaSb interface, and many of these dislocations thread through the superlattice. The samples grown directly on GaSb had a much lower dislocation density. The Raman spectra of the InAs/GaInSb superlattice shows a single peak, which is a superposition of scattering from the LO phonons in InAs and in GaInSb. For unstrained InAs and GaInSb, the LO phonon energies are sufficiently separated that they would be well resolved in Raman scattering. However, the strain introduced into these materials by the pseudomorphic boundary conditions moves the two phonons closer together energetically so that only one peak is seen in the Raman spectrum of the superlattice. A high energy Raman scattering tail is seen in some of the samples. This tail is from Ga-As local modes. Such modes may be due to As incorporation in the GaInSb, Ga incorporation in the InAs or phase mixing at the interfaces.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.350174
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  • 13
    Electronic Resource
    Electronic Resource
    Observation of gold evaporated on graphite (00.1) cleaved surfaces (1990)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 68 (1990), S. 6520-6522 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Gold evaporated on air-cleaved (00.1) graphite was observed by scanning tunneling microscopy. Most individual gold islands were not stable during scanning; some islands even appeared to translate. These observations suggest that the interaction between the gold islands and the scanning tunneling microscope tip is stronger than that between the gold and the air-cleaved graphite substrate. Some gold islands were observed to be stable. It was deduced that stable islands at steps were located on the upper layer rather than on the lower layer. It is also deduced that the alignment of the elongated gold grains in the continuous film may be related to cleavage steps.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.346856
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  • 14
    Electronic Resource
    Electronic Resource
    Rotational tunneling of methane on MgO surfaces: A neutron scattering study (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6997-7000 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High-resolution inelastic neutron scattering was used to investigate the rotational tunneling of methane molecules in a (large-closed-square)×(large-closed-square)R45° commensurate, square-lattice–solid monolayer adsorbed on MgO (100) surfaces. Good matches to the observed transition energies were obtained using potential functions with C2v symmetry, suggesting that the preferred orientation of the molecule is the dipod-down configuration with two opposite edges of the H-atom tetrahedron parallel to the surface plane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461044
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    Paper (German National Licenses)
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  • 15
    Electronic Resource
    Electronic Resource
    Single-event, energy-resolved, Auger–electron, multiple-ion coincidence mass spectroscopy (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 9200-9202 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An experimental method is described that is directed at monitoring the creation and decay of core hole states in molecules from state-to-state. Data in the form of a coincidence map are presented and analyzed for the case of nitrous oxide.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459212
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  • 16
    Electronic Resource
    Electronic Resource
    Generalized Brownian dynamics. I. Numerical integration of the generalized Langevin equation through autoregressive modeling of the memory function (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1304-1311 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A method is presented for numerical integration of the generalized Langevin equation (GLE) based on modeling of the "random force'' as a discrete autoregressive process. This modeling procedure, drawn from digital signal processing and spectral estimation methods which have been used extensively in electrical engineering applications, provides for efficient evaluation of the friction integral in the GLE as well as for generation of a random force process with the desired spectrum. The method is shown, through comparison with molecular dynamics results, to be effective in simulating the force autocorrelation function of an iodine atom dissolved in Lennard-Jones (LJ) xenon. In a companion paper this method is applied in a simulation of the vibrational relaxation of I2 in LJ xenon at two very different densities and found to perform well.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458140
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    Paper (German National Licenses)
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  • 17
    Electronic Resource
    Electronic Resource
    Evidence for valence hole localization in the Auger decay and fragmentation of carbon and silicon tetrafluorides (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 2162-2166 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Monochromatic synchrotron radiation was used to excite selectively core electrons of the carbon and fluorine atoms in carbon tetrafluoride and silicon and fluorine in silicon tetrafluoride. The fragmentation processes were examined using time-of-flight mass spectroscopy. The mass spectra show the distribution of ions collected in coincidence with low and high energy electrons. Distinct changes in the mass spectra with atomic site of excitation and photon energy are observed. The observation of F2+ ions following fluorine 1s excitation in SiF4 provides significant evidence for a "valence bond depopulation'' mechanism involving the formation of a localized, two-hole final state that persists on the time scale of fragmentation. In contrast, no F2+ was observed for CF4, which indicates that fragmentation for this molecule is more characteristic of a delocalized two-hole state.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456011
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  • 18
    Electronic Resource
    Electronic Resource
    Electronic decay of core hole excited states in molecular oxygen (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 2169-2175 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Electron energy spectra characterizing the relaxation of molecular oxygen from different core hole excited states are reported. By using monochromatic synchrotron radiation, spectra are obtained with excitation at the π* and σ* resonances and at various energies above the ionization threshold. The spectra obtained with excitation above threshold are very similar and result from Auger decay. The spectra obtained at the σ* resonance result from spectator autoionization, and those for the π* resonance result from both spectator and participator autoionization. The σ* resonance is broadened by spectral congestion, and the autoionization spectra indicate the presence of three components. Configurations and states produced by the electronic decay are identified, and a correlation between spectator screening and term values is documented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459048
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    Paper (German National Licenses)
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  • 19
    Electronic Resource
    Electronic Resource
    Angular dependence of photofragments from K-shell excited N2 and O2: Photoabsorption anisotropy and excited state symmetry (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 7936-7945 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The symmetry of excited states reached by photoexcitation of K-shell electrons of N2 and O2 is identified from the fragmentation anisotropy. For each molecule, ion yield excitation spectra were obtained at 90°, 54.7°, and 0° relative to the axis of soft x-ray polarization. The degree of polarization of the synchrotron radiation was determined experimentally. From this determination and the angular dependence of the ion yield, the photoabsorption anisotropy parameter β is obtained as a function of photon energy. Variations in the β spectra are discussed in terms of previously assigned spectral features and are compared with other experimental results. A comparison also is made with theoretical calculations, which are available for the case of N2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459323
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    Paper (German National Licenses)
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  • 20
    Electronic Resource
    Electronic Resource
    Generalized Brownian dynamics. II. Vibrational relaxation of diatomic molecules in solution (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1312-1319 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A simple classical stochastic model for diatomic vibrational relaxation, based on the generalized Langevin equation, is presented. The memory function in the generalized Langevin equation is determined directly from equilibrium force autocorrelation functions for the individual atoms of the diatomic dissolved in the solvent of interest. A simple autoregressive (AR) procedure, developed in a preceding paper [D. E. Smith and C. B. Harris, J. Chem. Phys. 92, xxx (1990)], is used for modeling the memory functions to arbitrary order. This model is tested on the system of iodine in Lennard–Jones xenon using fourth order AR approximations for the memory functions, and is found to be very effective in reproducing data from molecular dynamics simulations at two very different densities. Results are discussed in terms of the simplifying assumption that the solvent interaction with the diatomic can be characterized by equilibrium dynamics of single atoms in solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.458141
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