Abstract
The phonon spectra of a series of A2B4C 52 and A1B3C 62 crystals with the chalcopyrite structure are calculated in the Keating model in the basis set of polarization vectors of their sublattices. The dependences of frequency values and partial contributions of sublattices to the polarization vectors on the chemical composition are studied. The effect of the mass ratio and the strengths of covalent bonds between the compound components on the phonon spectrum formation is found.
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Original Russian Text Copyright © 2013 by A. V. Kopytov, A. S. Poplavnoi, M. K. Ufimtsev
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Translated from Zhurnal Strukturnoi Khimii, Vol. 54, No. 5, pp. 805–811, September–October, 2013.
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Kopytov, A.V., Poplavnoi, A.S. & Ufimtsev, M.K. Genesis of the phonon spectra of A2B4C 52 and A1B3C 62 crystals with a chalcopyrite lattice from the vibrational states of their sublattices. J Struct Chem 54, 843–849 (2013). https://doi.org/10.1134/S0022476613050028
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DOI: https://doi.org/10.1134/S0022476613050028