Ab Initio Calculations of Phonon Dispersion in ZnGa 2 Se 4

Z. A. Dzhakhangirli; T. G. Kerimova; N. A. Abdullaev

doi:10.1134/S1063782616030088

Ab Initio Calculations of Phonon Dispersion in ZnGa₂Se₄

Authors: Dzhakhangirli Z.A.¹^,2, Kerimova T.G.¹, Abdullaev N.A.¹^,2
Affiliations:
1. Institute of Physics
2. Azerbaijan Technical University
Issue: Vol 50, No 3 (2016)
Pages: 285-288
Section: Nonelectronic Properties of Semiconductors (Atomic Structure, Diffusion)
URL: https://journals.rcsi.science/1063-7826/article/view/196850
DOI: https://doi.org/10.1134/S1063782616030088
ID: 196850

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Abstract
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Abstract

In the context of density functional theory, the phonon density of states and phonon dispersion are calculated for ZnGa₂Se₄. The temperature dependence of the heat capacity of ZnGa₂Se₄ in the temperature range 5–400 K is obtained. The calculated frequencies and symmetries of phonon modes in the center of the Brillouin zone are in good agreement with experimental data obtained by Raman spectroscopy and infrared spectroscopy.

Keywords

Brillouin Zone, Azerbaijan, Phonon Dispersion, Phonon Density, Longitudinal Optical

About the authors

Z. A. Dzhakhangirli

Institute of Physics; Azerbaijan Technical University

Author for correspondence.
Email: cahanzakir@yahoo.com
Azerbaijan, Baku, Az-1143; Baku, Az-1073

T. G. Kerimova

Institute of Physics

Email: cahanzakir@yahoo.com
Azerbaijan, Baku, Az-1143

N. A. Abdullaev