STUDY OF TEMPERATURE AND PRESSURE EFFECTS ON THE LATTICE PARAMETER OF CUBIC BaTiO3 BY THE STATISTICAL MOMENT METHOD WITH IMPROVED INTERATOMIC POTENTIAL PARAMETERS

DOI: 10.18173/2354-1059.2023-0025

Tóm tắt

The effects of temperature and pressure on the lattice parameter of barium titanate with cubic structure have been studied by the statistical moment method. The analytic expression of the lattice parameter is obtained by considering the anharmonic lattice vibrations. The potential with their improved parameters is used to obtain the lattice parameters of BaTiO3 from 400 K up to 1500 K and from zero up to 11 GPa. The numerical lattice parameters at various temperatures and pressures are consistent with the experimental result. The lattice parameter changes as a decreased function of the pressure but an increased function of the temperature.