Hydrogen Molecule in Group IV Element Crystal
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概要
- 論文の詳細を見る
Ab initio Hartree-Fock calculations of a hydrogen molecule in group IV element crystals (diamond, silcon and germanium) have been performed with cluster models. The total energy has a minimum value when the hydrogen molecule is at a tetrahedral site. The charge of the hydrogen molecule in silicon and germanium crystals is neutral but positive in diamond. The calculated vibrational frequencies of H_2 are 5533, 4423 and 4402cm^<-1> in diamond, silicon and germanium crystals, respectively.
- 社団法人応用物理学会の論文
- 1997-11-15
著者
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NAKAMURA Kazutaka
National Research Institute for Metals
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KITAJIMA Masahiro
National Research Institute for Metals
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Ishioka Kunie
National Institute for Materials Science
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Kitajima Masahiro
National Defense Academy of Japan, Yokosuka, Kanagawa 239-8686, Japan
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