Ferroelectricity of nanocrystalline BaTiO3 ceramics by first principle calculation

被引：0
|
作者：
DENG XiangYun 1
2 College of Physics and Electronic Information
3 Department of Materials Science and Engineering
机构：
来源：
Science Bulletin | 2010年 / 20期
基金：
中国国家自然科学基金;
关键词：
nanocrystalline BaTiO3 ceramics; microstructure; size effect; ferroelectricity;
D O I：
暂无
中图分类号：
O481 [固体理论];
学科分类号：
070205 ; 0805 ; 080502 ; 0809 ;
摘要：
The vibrational modes of BaTiO3 in different crystalline phases have been investigated by means of density functional theory pseudo potential method.The evidence of tetragonal to orthorhombic and orthorhombic to rhombohedral phase transitions present for 8 nm BaTiO3 ceramics further demonstrates that the similar successive transitions in 8 nm BaTiO3 ceramics from rhombohedral to orthorhombic,tetragonal and cubic transitions are as those in coarse BaTiO3 ceramics.
引用
收藏
页码：2182 / 2185
页数：4
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