Prediction of Intrinsic Defects in Hydrogenated Amorphous Silicon by ab initio Molecular Dynamics
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概要
- 論文の詳細を見る
Intrinsic defects in hydrogenated amorphous silicon (a-Si : H) are investigated using ab initio molecular-dynamics simulation. It is predicted that the hydrogen-passivated dangling bond (Si-H), the positively-ionized Si-H-Si three-centered bond (Si-H^+-Si), the negatively-ionized three-fold-coordinated dangling-bond (D^-), and the five-fold-coordinated floating-bond (F_5) are the intrinsic defects in a-Si : H. We discuss the role of intrinsic defects and hydrogen related to the origin of the photo-induced defect in a-Si : H based upon the simulation.Hydrogenated amorphous siliconab initio molecular dynamicsintrinsic defect
- 東北大学の論文
- 1994-03-25
著者
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ORITA Nozomi
Electrotechnical Laboratory
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Katayama-yoshida Hiroshi
Department Of Computational Science Asahi Chemical Industry Co. Ltd.:presto Japan Science And Techno
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Katayama-Yoshida Hiroshi
Department of Computational Nanomaterials Design, Nanoscience and Nanotechnology Center, The Institute of Scientific and Industrial Research (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan
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