Analysis of Si–H, Si–O–H and Si–O–O–H Defects in SiO 2 Thin Film by Molecular Orbital Method
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概要
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Energy states of hydrogen-related defects in SiO2 such as Si–H, Si–O–H and Si–O–O–H have been studied by theoretical analysis using molecular orbital (MO) calculation. The theoretical analyses have been carried out using both the semiempirical and ab-initio MO methods, and the ab-initio MO calculation results shows that the transition energy from the excited-singlet state to the ground state is 3.89 eV in a Si–O–O–H cluster. This value is close to that of the photoluminescence peak energy measured in the SiO2 film grown by photo-induced chemical vapor deposition. The strengths of the hydrogen bonds with Si and Si–O have been investigated, and it was found that Si–OH is more stable than Si–H.
- INSTITUTE OF PURE AND APPLIED PHYSICSの論文
- 1997-03-30
著者
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Okuyama Masanori
Department Of Electrical Engineering Faculty Of Engineering Schience Osaka University
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Kanashima Takeshi
Department Of Electrical Engineering Faculty Of Engineering Science Osaka University
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Hamakawa Yoshihiro
Department Of Electrical Engineering Faculty Of Engineering Osaka University
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Hamakawa Yoshihiro
Department of Electrical Engineering, Faculty of Engineering Science, Osaka University,
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Kanashima Takeshi
Department of Electrical Engineering, Faculty of Engineering Science, Osaka University,
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