Electronic States for Threefold- and Fivefold-Coordinated Si Atoms in Amorphous Si : Condensed Matter
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概要
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The defect-state wave functions for threefold-coordinated and fivefold-coordinated Si atoms were calculated for small clusters by using the transferable nonorthogonal tight-binding method. The results show that the largest Si 3s orbital density of the unpaired electron for one atom is larger for the cluster with a fivefold-coordinated Si atom than for the cluster with a threefold-coodinated Si atom. A comparison with the observed results suggests that the ESR signal with g=2.0055 observed in a-Si:H does not originate from fivefold-coordinated Si atoms but from threefold-coordinated ones.
- 社団法人応用物理学会の論文
- 1988-10-20
著者
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SHIMIZU Tatsuo
Department of Electrical and Computer Engineering, Faculty of Engineering, Kanazawa University
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ISHII Nobuhiko
Department o Electrical Engineertig, Fukui Institute of Technology
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Ishii Nobuhiko
Department Of Electrical Engineering Fukui Institute Of Technology
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Shimizu Tatsuo
Department Of Electrics Faculty Of Technology Kanazawa University
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Shimizu Tatsuo
Department Of Applied Physics University Of Tokyo
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