The Influence of A-Site Rare Earth Ion Size in Controlling the Curie Temperature of Ba1-xRExTi1-x/4O3

被引：55
|
作者：
Freeman, Colin L. [1 ]
Dawson, James A. [1 ]
Harding, John H. [1 ]
Ben, Liu-Bin [1 ]
Sinclair, Derek C. [1 ]
机构：
[1] Univ Sheffield, Dept Mat Sci & Engn, Sheffield S1 3JD, S Yorkshire, England
来源：
ADVANCED FUNCTIONAL MATERIALS | 2013年 / 23卷 / 04期
基金：
英国工程与自然科学研究理事会;
关键词：
Ferroelectrics; electroceramics; Curie temperature; computer simulations;
D O I：
10.1002/adfm.201201705
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The defect structures for Gd- and La-doping on the A-site of BaTiO3 with the creation of Ti vacancies are reported. The rare-earth cations cluster together around the vacancy. The local relaxations caused by the defect cluster lead to distortion and tilting of nearby TiO6 octahedra and this is responsible for the lowering of the Curie temperature with increasing dopant concentration. Larger distortions to the octahedra are observed for La-doping and this is the proposed origin of the greater decrease in Tc as observed by experimental results associated with La- compared to Gd-doped samples.
引用
收藏
页码：491 / 495
页数：5
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