Formation Energies of Ba Atom in Si_n(n=20, 24, 28) Clusters : Ab-initio Study
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概要
- 論文の詳細を見る
We calculate the solution energy of the Ba atom in Si_<20>, Si_<24> and Si_<28> clusters using the first-principle pseudopotential method. The endohedral cluster becomes to be stable with decreasing the size of the clusters or the number of the atoms in the clusters. The energy is as large as six times of that of Zr atom.
- 理論物理学刊行会の論文
- 2000-04-28
著者
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NAGANO Takatoshi
Department of Periodontics and Endodontics, School of Dental Medicine, Tsurumi University
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Tsumuraya Kazuo
Department Of Mechanical Science And System Engineering School Of Science And Engineering Meiji Univ
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Eguchi Haruki
Department Of Mechanical Science And System Engineering School Of Science And Engineering Meiji Univ
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Eguchi Haruki
Research Laboratory Ishikawajima-harima Heavy Industries Co. Ltd. (ihi)
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Tsumuraya Kazuo
Department Of Mechanical Engineering Informatics School Of Science And Technology Meiji University
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Nagano Takatoshi
Department Of Mechanical Science And System Engineering School Of Science And Engineering Meiji Univ
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EGUCHI Haruki
Research Laboratory, Ishikawajima-Harima Heavy Industries, Co. Ltd. (IHI)
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NAGANO Takatoshi
Department of Mechanical Science and System Engineering (MESSE), School of Science and Engineering, Meiji University
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Tsumuraya Kazuo
Department of Mechanical Science and System Engineering, School of Science and Engineering, Meiji University
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