Role of Ti Antisitelike Defects in SrTiO3

被引：119

作者：

Choi, Minseok ^{[1
]}

Oba, Fumiyasu ^{[1
]}

Tanaka, Isao ^{[1
,2
]}

机构：

[1] Kyoto Univ, Dept Mat Sci & Engn, Kyoto 6068501, Japan

[2] Japan Fine Ceram Ctr, Nanostruct Res Lab, Nagoya, Aichi 4568587, Japan

来源：

PHYSICAL REVIEW LETTERS | 2009年 / 103卷 / 18期

关键词：

AR+-IRRADIATED SRTIO3; ROOM-TEMPERATURE; DYNAMICS;

D O I：

10.1103/PhysRevLett.103.185502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Through first-principles calculations, the role of Ti antisitelike defects in the electrical and optical properties of SrTiO3 is proposed. Significant Ti off-centering from the Sr site toward the [100] or [110] direction leads to switchable polar states, and attractive interactions with the O vacancy drive them to form defect pairs. In these defect configurations, localized electronic states are introduced below the conduction band minimum. Our findings on Ti antisitelike defects suggest that they are responsible for the ferroelectricity and blue light emission in nonstoichiometric SrTiO3.

引用

页数：4

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