Semiconductor Physics, Quantum Electronics & Optoelectronics, 23 (4), P. 355-360 (2020).
DOI: https://doi.org/10.15407/spqeo23.04.355

Elastic properties of CdTe1–xSex (x = 1/16) solid solution: First principles study
H.A. Ilchuk1, D.V. Korbutyak2, A.I. Kashuba1*, B. Andriyevsky3, I.M. Kupchak2, R.Yu. Petrus1, I.V. Semkiv1

1Lviv Polytechnic National University, Department of General Physics
Bandera str. 12, 79646 Lviv, Ukraine
2V. Lashkaryov Institute of Semiconductor Physics, NAS of Ukraine
45, prospect Nauky, 03680 Kyiv, Ukraine
3Koszalin University of Technology, Faculty of Electronics and Computer Sciences
Sniadeckich str. 2, 75-453 Koszalin, Poland
*E-mail: AndriyKashuba07@gmail.com

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.

Keywords: solid solution, elastic properties, acoustic velocity, Debye temperature.

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