Anharmonicity and the mean square displacement in perovskite-type crystals

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 fun...

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Veröffentlicht in:	Solid state communications 1985-01, Vol.53 (6), p.555-557
Hauptverfasser:	Balashov, S.M., Fedyanin, V.K., Venevtsev, Y.N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Physics Thermal properties of condensed matter Thermal properties of crystalline solids Thermodynamic properties
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	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 BaTiO 3 and SrTiO 3 on the basis of the available experimental data is made.
ISSN:	0038-1098 1879-2766
DOI:	10.1016/0038-1098(85)90191-7