First principles investigation of vacancy oxygen defects in Si

被引：23
作者：
Ewels, CP [1 ]
Jones, R [1 ]
Oberg, S [1 ]
机构：
[1] UNIV LULEA,DEPT MATH,S-95187 LULEA,SWEDEN
来源：
ICDS-18 - PROCEEDINGS OF THE 18TH INTERNATIONAL CONFERENCE ON DEFECTS IN SEMICONDUCTORS, PTS 1-4 | 1995年 / 196-卷
关键词：
D O I：
10.4028/www.scientific.net/MSF.196-201.1297
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Ab initio techniques are used to study vacancy oxygen complexes in Si. Substitutional oxygen is found to be an off-site defect in agreement with experiment. It possesses one high frequency O-related LVM at 788 cm(-1). The VO2 defect has D-2d symmetry and only one O-related high frequency IR active mode at 807 cm(-1). The VO3 defect has three high frequency IR active modes. The V2O defect has one such LVM. These results provide strong support for the assignment of the 889 cm(-1) (300 K) local vibrational mode to VO2.
引用
收藏
页码：1297 / 1301
页数：5
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