Ab Initio Calculations of Phonon Dispersion in ZnGa2Se4

被引：6

作者：

Dzhakhangirli, Z. A. ^{[1
,2
]}

Kerimova, T. G. ^{[1
]}

Abdullaev, N. A. ^{[1
,2
]}

机构：

[1] Azerbaijan Natl Acad Sci, Inst Phys, AZ-1143 Baku, Azerbaijan

[2] Azerbaijan Tech Univ, AZ-1073 Baku, Azerbaijan

来源：

SEMICONDUCTORS | 2016年 / 50卷 / 03期

关键词：

RAMAN-SCATTERING;

D O I：

10.1134/S1063782616030088

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页码：285 / 288

页数：4

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