Bulk Modulus, Elastic Constants, and Force Constants of Interatomic Bonds of II-III2-VI4 Compounds

Irada A. Mamedova,Zakir A. Jahangirli,Taira G. Kerimova,Nadir A. Abdullayev

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS（2023）

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摘要

Ab initio density functional perturbation theory is used to calculate the elastic constants of CdGa2S4, CdGa2Se4, CdGa2Te4, and ZnGa2Se4 thiogallates. The values of the bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are determined. The force constants of interatomic bonds in CdGa2Te4 and ZnGa2Se4 compounds are calculated. Regularities in the dependence of the frequencies of Raman-active phonons on the atomic masses are established.

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关键词

chalcopyrites,elastic constants,force constants,phonons,Raman scattering,reduced mass

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