First-Principles Study of Interstitial Boron and Oxygen Dimer Complex in Silicon
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概要
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It is newly proposed that the boron-oxygen defect in Czochralski silicon could consist of an interstitial boron (B<inf>\text{i</inf>) and an oxygen dimer (O<inf>\text{2i</inf>). We have used the density functional theory to study the possible configurations of the B<inf>\text{i</inf>O<inf>\text{2i</inf>complex and their induced electronic levels in the silicon band gap. It is found that the most stable configuration of the B<inf>\text{i</inf>O<inf>\text{2i</inf>complex is not variable with its charge states. Meanwhile, the electronic level (0/+) induced by the B<inf>\text{i</inf>O<inf>\text{2i</inf>complex is calculated to be about E_{\text{C}}-0.4{\mbox{--}}0.5 eV. These results are interesting for us to understand the formation mechanism of B--O defects.
- 2013-04-25
著者
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Chen Peng
State Key Lab. Of Millimeter Waves School Of Inf. Sci. And Eng. Southeast University
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YANG Deren
State Key Lab of Si Materials, Zhejiang University
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Yu Xuegong
State Key Lab Of Silicon Materials Zhejiang University
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Chen Xianzi
State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China
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Zhu Xiaodong
State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China
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