Theoretical study on defects associated with oxygen vacancy in PbWO4 crystal

被引：6
|
作者：
Yao, MZ [1 ]
Gu, M [1 ]
机构：
[1] Tongji Univ, Dept Phys, Shanghai 200092, Peoples R China
来源：
ACTA PHYSICA SINICA | 2003年 / 52卷 / 02期
关键词：
PbWO4; crystal; density functional theory; oxygen vacancies; density state;
D O I：
10.7498/aps.52.459
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
In this study, the defect associated with oxygen vacancy V-o in lead tungstate crystals( PbWO4), was investigated by the relativistic self-consistent discrete variational embedded cluster method. We focused on the density state and the effect of color centre induced by V-o on the surroundings. The results showed that, V-o could produce the WO3 + F+ defect in the crystal, and the existence of F+ could result in the absorption of 420nm. In addition, there was not V centre in the PbWO4 crystal.
引用
收藏
页码：459 / 462
页数：4
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