Calculation of the phonon density of states and related thermodynamic properties for trigonal selenium

Flemming Yssing Hansen, G. P. Alldredge, H. L. McMurry

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    Abstract

    The phonon density of states for trigonal selenium has been calculated on the basis of a short range force model giving good overall agreement with experimental room temperature phonon dispersion data. A qualitative comparison with an experimental determination of the phonon density of states shows similarities in the gross features, but the experimental data lacks many of the finer details shown by the theoretical results due to resolution effects. The lattice dynamical contribution to the heat capacity CV is calculated and is found to be in good agreement with experimental determinations of Cp after transforming Cp to CV. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
    Original languageEnglish
    JournalJournal of Chemical Physics
    Volume78
    Issue number2
    Pages (from-to)921-924
    ISSN0021-9606
    DOIs
    Publication statusPublished - 1983

    Bibliographical note

    Copyright (1983) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

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