Quantum Chemical Calculations of Sulfur Doping Reactions in Diamond CVD
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概要
- 論文の詳細を見る
Recently, n-type semiconducting diamond was successfully obtained by sulfur doping using CH4/H2S/H2 plasma chemical vapor deposition (CVD). It was reported that the crystal quality too was improved by the sulfur doping. In this study, the equilibrium geometry and the band structure of S- and O-doped diamond have been investigated using density function theory (DFT) calculations. Moreover, the sulfur incorporation mechanisms have been investigated by the semi-empirical molecular orbital (MO) calculations. Our calculations revealed that the sulfur atoms are spontaneously incorporated into the diamond (100) surface, while the incorporation of the oxygen atoms is unfavorable.
- Publication Office, Japanese Journal of Applied Physics, Faculty of Science, University of Tokyoの論文
- 2001-04-30
著者
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Kubo Momoji
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
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Ando Toshihiro
Core Research For Evolutional Science And Technology (crest) Japan Science And Technology Corporatio
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Miyamoto Akira
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
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Takami Seiichi
Department Of Chemical System Engineering Faculty Of Engineering The University Of Tokyo
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Yokoi Yasuto
Department Of Materials Chemistry Graduate School Of Engineering Tohoku University
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Zhou Hui
Department Of Biochemistry And National Key Laboratory Of Pharmaceutical Biotechnology Nanjing Unive
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Tamura Hiroyuki
Department Of Applied Physics Tohoku University
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Tamura Hiroyuki
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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Gamo Mikka
Core Research for Evolutional Science and Technology (CREST), C/O National Institute for Research in Inorganic Materials (NIRIM), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
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Zhou Hui
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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Ando Toshihiro
Core Research for Evolutional Science and Technology (CREST), C/O National Institute for Research in Inorganic Materials (NIRIM), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
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Takami Seiichi
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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Yokoi Yasuto
Department of Materials Chemistry, Graduate School of Engineering, Tohoku University, Aoba-yama 07, Sendai 980-8579, Japan
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