I. A. Mamedova, Z. A. Jahangirli, T. G. Kerimova, R. G. Seyidov, N. A. Abdullaev, “Elastic constants and interatomic bond force constants of A$^{\mathrm{II}}$B$_2^{\mathrm{III}}$C$_4^{\mathrm{VI}}$ compounds”, Fizika Tverdogo Tela, 2022, Volume 64, Issue 6,Pages 612

Semiconductors

Elastic constants and interatomic bond force constants of A$^{\mathrm{II}}$B$_2^{\mathrm{III}}$C$_4^{\mathrm{VI}}$ compounds

I. A. Mamedova^a, Z. A. Jahangirli^ab, T. G. Kerimova^a, R. G. Seyidov^a, N. A. Abdullaev^ab

^a Institute of Physics Azerbaijan Academy of Sciences, Baku, Azerbaijan
^b Baku State University, Baku, Azerbaijan

Abstract: The density functional theory (DFT) was used to calculate the elastic constants $c_{ij}$ of CdGa$_2$S$_4$, CdGa$_2$Se$_4$, CdGa$_2$Te$_4$, and ZnGa$_2$Sе$_4$ 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 CdGa$_2$Te$_4$ and ZnGa$_2$Sе$_4$ compounds have been determined.

Keywords: elastic constants, force constants, phonons, Raman scattering, tetragonal syngony, reduced mass, chalcopyrites.

DOI: 10.21883/FTT.2022.06.52386.283