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Elastic constants and interatomic bond force constants of AIIBIII2CVI4 compounds
Russian version
DOI: 10.21883/PSS.2022.06.53821.283
Mamedova I. A.1, Jahangirli Z. A.1,2, Kerimova T. G.1, Seyidov R. G.1, Abdullayev N. A.1,2
1Institute of Physics, National Academy of Sciences of Azerbaijan, Baku, Azerbaijan
2Baku State University, Baku, Azerbaijan
Email: abnadir@mail.ru
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The density functional theory (DFT) was used to calculate the elastic constants cij of CdGa2S4, CdGa2Se4, CdGa2Te4, and ZnGa2Se4 thiogallates. The values of B bulk modulus of elasticity have been calculated. The regularities in the dependences of the optical phonons frequencies on the masses of atoms of compounds are established. The force constants of interatomic bonds in CdGa2Te4 and ZnGa2Se4 compounds have been determined. Keywords: elastic constants, force constants, phonons, raman scattering, tetragonal syngony, reduced mass, chalcopyrites.
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