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

Year: 1983

Type: article

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.

Source: The Journal of Chemical Physics

DOI: 10.1063/1.444795

Authors: F. Y. Hansen, G. P. Alldredge, H. L. McMurry

Institutions: Technical University of Denmark, University of Missouri, Idaho State University

Language: English

Topic: Thermal properties of materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2083928905

FWCI:

Cites: 9

Cited by: 5

Related to: 10