Anharmonicity and disorder in simple and complex perovskites: a high energy synchrotron and hot neutron diffraction study
Jean-Michel Kiat; Gianguido Baldinozzi; Muriel Dunlop; Charlotte Malibert; Brahim Dkhil; Carole Ménoret; Olivier Masson; Maria-Teresa Fernandez-Diaz
Журнал:
Journal of Physics: Condensed Matter
Дата:
2000-10-02
Аннотация:
We report a study of simple ABO<sub>3</sub> type perovskites BaTiO<sub>3</sub>, PbTiO<sub>3</sub>, KNbO<sub>3</sub>, SrTiO<sub>3</sub> and the relaxor perovskites PbSc<sub>1/2</sub>Nb<sub>1/2</sub>O<sub>3</sub> (PSN) in their cubic phase using hard synchrotron radiation and hot neutrons. Gram-Charlier expansions of the thermal parameters have been performed and have revealed interesting features about the probability density function and the one-particle potential of the different atoms. This description is compared with other descriptions in terms of the split atom model and in terms of the rotator model. Structural trends regarding the order-disorder versus displacive character of the phase transitions have been obtained. It is concluded that SrTiO<sub>3</sub> and BaTiO<sub>3</sub> are quasi-harmonic systems whereas KNbO<sub>3</sub> shows weak anharmonicity and PbTiO<sub>3</sub> and PSN display strong anharmonic features.
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