Electronic Structures of Newly Predicted Intercalation Compounds “Lithium Intercalated α-Boron”

• Gunji Shigeki

  Department of Applied Physics, Science University of Tokyo

• Kamimura Hiroshi

  Department of Applied Physics, Science University of Tokyo

• Nakayama Takashi

  Department of Physics, Chiba University

書誌事項

タイトル別名

• Electronic Structures of Newly Predicte

抄録

New types of intercalation compounds by intercalating lithium atoms into semiconducting α-rhombohedral boron are predicted theoretically, based on the ab initio total-energy pseudopotential calculations in the local density approximation. A novel interesting feature of these new materials is to exhibit a possibility that both donor- and acceptor-type metallic compounds are obtained from the same species of intercalant atom, depending on the positions of an intercalant. It is shown by the total energy calculations that donor-type compound in which Li are intercalated into the center of a rhombohedral unit cell is the most stable.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 62 (7), 2408-2418, 1993

  一般社団法人 日本物理学会

キーワード

• electronic structure
• boron intercalation compounds
• α-rhombohedral boron
• superconductivity

詳細情報

• CRID: 1390282679155210624
• NII論文ID: 110001956057
• NII論文ID: 130003902066
• NII論文ID: 210000097480
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.62.2408
• BIBCODE: 1993JPSJ...62.2408G
• COI: 1:CAS:528:DyaK3sXmtlCgtbg%3D
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 3834280
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I3834280
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.62.2408
• 本文言語コード: en
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