Mechanism of the electro-optic effect in BaTiO3

被引：7
|
作者：
Meng, XY
Wang, ZZ
Chen, CT
机构：
[1] Chinese Acad Sci, Beijing Ctr Crystal R&D, Tech Inst Phys & Chem, Beijing 100080, Peoples R China
[2] Chinese Acad Sci, Grad Sch, Beijing 100864, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2005年 / 411卷 / 4-6期
基金：
中国国家自然科学基金;
关键词：
D O I：
10.1016/j.cplett.2005.06.056
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We present an ab initio calculation to further verify our earlier theoretical model. The result shows that the origin of the electrooptic effect in BaTiO3 crystal comes mainly from the displacement of the Ti4+ ions relative to the oxygen ions in the octahedron (TiO6) groups. The displacement of the Ti4+ ions lead to changes of the band wave functions of the electrons in the crystal, which produce the changes of the refractive indices. The calculation further reveals the physical meaning of parameters used in the theoretical model. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：357 / 360
页数：4
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