Quasiharmonic approximation model in the theory of pseudopotentials
DOI:
https://doi.org/10.15407/dopovidi2016.04.055Keywords:
energy of an electron-ion system, energy of thermal vibrations of a crystal, lattice parameterAbstract
Within the harmonic approximation, a model describing the anharmonic effects related to thermal vibrations of the lattice is proposed. The dependence of the lattice parameters on the temperature through the energy of the electron-ion system, which is calculated in the second order of perturbation theory, is determined.
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Belan-Gayko L. V., Bogdanov V. I., Fuchs D. L. Izvestiya vuzov, Fizika, 1979, No 2: 25–38 (in Russian).
Ivanova T. A., Mavrin B. A. Solid State Phys., 2013, 55, No 1: 143–146 (in Russian). https://doi.org/10.1134/S1063783413010162
Zhuravlev Yu. N., Korobelnikov D. V., Oleinikova M. V. Solid State Phys., 2012, 54, No 7: 1427–1434 (in Russian). https://doi.org/10.1134/S1063783412070360
Bodryakov V. Y., Povzner A. A., Zelyukova O. G. Solid State Phys., 1988, 40, No 9: 1581–1583 (in Russian).
Jernov A. P. J. Exp. Theor. Phys., 1998, 114, Iss. 2: 654–668 (in Russian).
Zharkov V. N. The equations of state of solids at high pressures and temperatures, Moscow: Nauka, 1968 (in Russian).
Kovalev Yu. M., Belik A. V. Bull. Chelyabinsk State University. Physics, 2013, 16, No 9: 5–10 (in Russian).
Zakaryan D., Kartuzov V., Khachatrian A. Powder Metallurgy and Metal Ceramics, 2012, 51, No 5–6: 301–306. https://doi.org/10.1007/s11106-012-9432-3
Kittel Ch. Introduction to Solid State Physics, New York: Wiley, 1978.
Heine V., Cohen M., Weaire D. The Pseudopotential Concept, New York: Academic Press, 1970. https://doi.org/10.1016/s0081-1947(08)60069-7
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