First stage of oxygen aggregation in silicon: The oxygen dimer

被引:48
作者
Oberg, S [1 ]
Ewels, CP
Jones, R
Hallberg, T
Lindstrom, JL
Murin, LI
Briddon, PR
机构
[1] Univ Lulea, Dept Math, S-97187 Lulea, Sweden
[2] Univ Exeter, Dept Phys, Exeter EX4 4QL, Devon, England
[3] Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden
[4] Byelarussian Acad Sci, Inst Solid State Phys & Semicond, Minsk 220072, BELARUS
[5] Newcastle Univ, Dept Phys, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England
关键词
D O I
10.1103/PhysRevLett.81.2930
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The structure and dynamic properties of the interstitial oxygen dimer in silicon are found using a combination of infrared spectroscopy and ab initio modeling. We find that the stable dimer consists of a pair of inequivalent weakly coupled interstitial oxygen atoms separated by a Si-Si bond. Two high frequency modes are decoupled in one O-16-O-18 combination but are strongly mixed in the other combination. A third lower lying mode involves the compression of the Si-Si bond joining the oxygen atoms and gives distinct modes in the mixed O-16-O-18 case.
引用
收藏
页码:2930 / 2933
页数:4
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