Study of the Competing Influence of Intermolecular Interactions of Different Types on the Structure of the Ferroelectrics |
| O.G. Maksimovaa, V.I. Egorova, R.A. Gerasimovb, A.R. Baidganova, A.V. Maksimova
aCherepovets State University, Department of Physics, 162600 Cherepovets, Russian Federation bSouthern Federal University, Department of Theoretical and Computer Hydro and Aerodynamics, 344090, Rostov-on-Don, Russian Federation |
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| The modified Potts model considering the lattice size and the sublattice displacement is used for studying of structural transitions in ferroelectric systems. It was shown that the lattice type is determined by the competing influence of intermolecular interactions (dipolar-dipolar, exchange interactions, Lennard-Jones potential). The lattice parameters are calculated for different intermolecular interactions. It was shown that crystallographic parameters of lattice and the value of spontaneous polarization are changed drastically at a certain temperature. |
DOI:10.12693/APhysPolA.135.1084 topics: ferroelectric, orientational interactions, phase transitions, type of crystal lattice, Monte-Carlo method |