First-principles study of the phonon spectrum of ζ-GaSe

The phonon spectrum and phonon density of states of ζ-GaSe layered semiconductor have been studied from the first principles in the linear-response approximation. The elastic constants and acoustic velocities along and across layers have been determined. The study of the equilibrium structure and ph...

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Bibliographic Details
Published in:Physics of the solid state 2012-07, Vol.54 (7), p.1467
Main Author: Jahangirli, Z.A
Format: Article
Language:English
Subjects:
Semiconductors
Online Access:Get full text
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Summary:The phonon spectrum and phonon density of states of ζ-GaSe layered semiconductor have been studied from the first principles in the linear-response approximation. The elastic constants and acoustic velocities along and across layers have been determined. The study of the equilibrium structure and phonon spectrum of the (0001) surface of ζ-GaSe has demonstrated that the volume and surface structural dynamic properties of these crystals differ insignificantly. The calculated frequencies and symmetries of the phonon modes in the center of the Brillouin zone are in good agreement with the experimental data obtained from the Raman scattering and infrared spectra.
ISSN:1063-7834
1090-6460
DOI:10.1134/S1063783412070153