Computer simulation of the structural phase transitions in ferroelectrics of barium titanate type

被引：0

作者：

Posmet'yev V.V. ^{[1
]}

Rogovoy D.F. ^{[1
]}

Barmin Yu.V. ^{[1
]}

机构：

[1] Voronezh State Technical University, Voronezh 394026

来源：

Bulletin of the Russian Academy of Sciences: Physics | 2008年 / 72卷 / 09期

关键词：

Crystal structure - Molecular dynamics - Perovskite;

D O I：

10.3103/S1062873808090177

中图分类号：

学科分类号：

摘要：

A molecular-dynamic model of an AB O3 crystal with a perovskite-type structure has been developed, which implements dense packing of soft ions. A large number of different crystalline modifications, including polar ones, can be obtained within this model by insignificant variation in the radii of A and B ions. The model can be used to describe the structural phase transitions occurring with a change in temperature. © Allerton Press, Inc. 2008.

引用

页码：1234 / 1236

页数：2

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