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JOURNALS // Matematicheskoe modelirovanie // Archive

Matem. Mod., 2012 Volume 24, Number 7, Pages 3–12 (Mi mm3290)

Bicomponent three-atomic linear chain model for interaction constants of Cu- and Ag- chalcogenides calculation

E. S. Shikhovtsevaa, A. N. Mikolaychukb, O. V. Mikolaychukb

a Government of Russian Academy of Science the Institute of Physics of molecules and crystals URC RAS, Ufa
b Sterlitamak State Pedagogical Academy by Zainab Biisheva

Abstract: A model for the calculation of interaction constants between the ions of crystal Cu- and Ag- chalcogenides, which is three-atomic linear-chain of ions, where one ion (chalkogen) has a deformed electronic shell is proposed. Numerical constants of interaction are obtained and it is shown that for those of them, which has superionic properties in even non-superionic state, a very small numerical values take place. Such tendency becomes apparent for the interaction constants of chalcogen ion and its electronic shell as well as for the interaction constants of the ions of chalcogen and metal.

Keywords: superionic, superionic conductivity, anharmonic oscillations.

UDC: 537.311.32+548.4

Received: 18.10.2011



© Steklov Math. Inst. of RAS, 2024