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.

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页码：1297 / 1301

页数：5

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