Localized and delocalized models in the theory of polarization: perovskite oxides

被引：6

作者：

Turik, AV ^{[1
]}

Khasabov, AG ^{[1
]}

机构：

[1] Rostov State Univ, Dept Phys, Rostov On Don 344090, Russia

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 11期

关键词：

D O I：

10.1088/0953-8984/10/11/011

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Possibilities of working out the theory of polarization in perovskite-type oxides in frameworks of localized and delocalized models are analysed. Born effective charges are used as a criterion of correlating these models. It is shown that taking into account gradients of effective electric fields on anions and high electric permittivity ensures the adequate description of polarization in these crystals by using the Slater localized (static) model. The results of our calculations in the framework of the Slater model are given and compared with ab initio calculation data.

引用

页码：2477 / 2482

页数：6

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