Anharmonicity and the mean square displacement in perovskite-type crystals |
| |
| Authors: | S.M. Balashov V.K. Fedyanin Y.N. Venevtsev |
| |
| Affiliation: | Karpov Institute of Physical Chemistry, ul. Obukha 10, 107120, Moscow, USSR |
| |
| Abstract: | The theoretical expression is derived for the free energy (FE) of perovskite- type crystals (PTC) on the basis of the model of the crystal with several anharmoniously vibrating atoms in a unite cell. The expression for the mean square displacement (MSD) of any atom in (PTC) is also obtained as a function of potential coefficients of the Hamiltonian of a crystal.The evaluation of the numerical values of potential coefficients of the Hamiltonians of BaTiO3 and SrTiO3 on the basis of the available experimental data is made. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
