First Principles Study of Dihydride Chains on H-Terminated Si(100)-$2{\times}1$ Surface
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概要
- 論文の詳細を見る
Scanning-tunneling-microscopy observation of an H-terminated Si(100)-$2{\times}1$ surface often shows the existence of a single dihydride-chain structure parallel to step edges. This chain is located near an SB step edge, but away from it by more than one Si-dimer's distance. In order to discuss the mechanism of the formation of such a structure, we have performed first-principles calculations. As a result, we have found that the rebonded step edge of the clean Si surface turns into one dihydride chain and a non-rebonded step edge after hydrogen termination. We have also found that the chain adjacent to the step edge is energetically less stable than in a distant position from the step.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2006-03-15
著者
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Sugino Osamu
Institute Of Applied Physics The University Of Tsukuba
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Heike Seiji
Advanced Research Laboratory Hitachi Ltd.
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YOSHIMOTO Yoshihide
Institute for Solid State Physics, University of Tokyo
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Suwa Yuji
Advanced Research Laboratory Hitachi Ltd.
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Akagi Kazuto
Department Of Physics University Of Tokyo
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Fujimori Masaaki
Advanced Research Laboratory Hitachi Ltd.
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Terada Yasuhiko
Advanced Research Laboratory Hitachi Ltd.
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Hashizume Tomihiro
Advanced Research Laboratory, Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Hashizume Tomihiro
Advanced Research Lab., Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Suwa Yuji
Advanced Research Laboratory, Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Sugino Osamu
Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan
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Heike Seiji
Advanced Research Laboratory, Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Heike Seiji
Advanced Research Lab., Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Yoshimoto Yoshihide
Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581, Japan
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Fujimori Masaaki
Advanced Research Laboratory, Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Fujimori Masaaki
Advanced Research Lab., Hitachi, Ltd., Hatoyama, Saitama 350-0395, Japan
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Akagi Kazuto
Department of Physics, University of Tokyo, Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
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