Ferroelectric phase transitions and off-centre displacements in systems with strong electron-phonon interaction
Yakov Girshberg; Yizhak Yacoby; Yakov Girshberg; Racah Institute of Physics, Hebrew University, Jerusalem 91904, Israel; Yizhak Yacoby; Racah Institute of Physics, Hebrew University, Jerusalem 91904, Israel
Журнал:
Journal of Physics: Condensed Matter
Дата:
1999-12-06
Аннотация:
We present a microscopic theory of ferroelectric phase transitions and off-centre displacements in perovskites. We show that the inclusion of strong intraband electron-phonon interaction (i.e. the existence of small polarons) into the framework of the interband theory of displacive-like ferroelectrics leads to local spin-like structural distortions in the paraelectric phase. Their interaction with the soft mode induces spin-spin coupling through the soft phonon leading to a spin-ordering phase transition. The resulting theory is shown to quantitatively explain both displacive-like and order-disorder-like features of two representative perovskites: KNbO<sub>3</sub> and PbTiO<sub>3</sub>.
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