Abstract
A model of ZnCdSe2 crystal with the chalcopyrite structure is considered. Equilibrium parameters of crystal lattice and electronic structure of ZnCdSe2 crystal and its isostructural analogs ZnZnSe2 and CdCdSe2 were calculated from first principles. Characteristics of band structure and chemical bonding were studied in these crystals. Elastic constants, phase velocities of elastic waves, and basic elastic moduli were calculated.
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Original Russian Text © 2018 Yu. M. Basalaev, A. V. Sidorova.
Translated from Zhurnal Strukturnoi Khimii, Vol. 59, No. 1, pp. 23–27, January–February, 2018.
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Basalaev, Y.M., Sidorova, A.V. Electronic Structure and Elastic Properties of ZnCdSe2 Crystal with the Chalcopyrite Structure. J Struct Chem 59, 15–19 (2018). https://doi.org/10.1134/S0022476618010031
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DOI: https://doi.org/10.1134/S0022476618010031