Abstract

Elastic properties of the CdTe1–xSex (x = 1/16) solid solution in the framework of the density functional theory calculations have been investigated. The structure of the sample has been constructed using that of the original binary compound CdTe, which crystallizes in the cubic phase. The Young modulus, shear modulus, bulk modulus and Poisson ratio have been calculated theoretically. On the results for elastic coefficients, value of acoustic velocity and Debye temperature have been obtained. The obtained values are in good agreement with experimental data.

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