Eiko Matsushita& K. Sugiyama
Eiko Matsushita& K. Sugiyama
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松下英子
DOI：
10.1080/00150193.2012.675269
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发表时间：
2012
期刊：
影响因子：
0.8
通讯作者：
Eiko Matsushita& K. Sugiyama
中科院分区：
文献类型：
--
作者：
F.Goehmann;A.Seel;J.Suzuki;Eiko Matsushita& K. Sugiyama
为了寻找无铅弛豫物质，研究了钙钛矿氧化物中产生同形相界（MPB）的条件。在位移型相变的微观理论之前，通过结合几种钙钛矿化合物的第一原理计算机模拟来扩展现象学方法。混合钙钛矿氧化物中的 MPB 区域由极化四阶项 S 的各向异性描述为 0 ≤ S≤ 1.7，该区域对应于具有连续相变的单个钙钛矿氧化物。基于现有的理论结果，讨论了MPB的定义，并解释了弛豫铁电体中的压力效应和电场依赖性。
In order to search for Pb-free relaxor substances, the conditions to derive morphotropic phase boundary (MPB) are studied in perovskite-oxides. Before a microscopic theory for displacive type phase transition, the phenomenological approach is extended by combining with a first-principles computer simulation in several perovskite compounds. The MPB region in mixed perovskite-oxides is described by an anisotropy of the fourth-order term of polarizations,S, as 0 ≤S≤ 1.7, which is the region corresponding to individual perovskite-oxides with successive phase transitions. Basing on the present theoretical results, the definition of the MPB is discussed with explaining the pressure effect and the electric-field dependence in relaxor ferroelectrics.