Self-Consistent calculation of the Band Structure of C8K Including the Charge Transfer Effect

• Ohno Takahisa

  Department of Physics, University of Tokyo

• Nakao Kenji

  Department of Physics, University of Tokyo

• Kamimura Hiroshi

  Department of Physics, University of Tokyo

書誌事項

タイトル別名

• Self-Consistent Calculation of the Band Structure of C<SUB>8</SUB>K Including the Charge Transfer Effect
• Self Consistent calculation of the Band

抄録

The method of the band structure calculation for layer-type materials is presented with use of atomic pseudopotentials and the Madelung-type potential due to the charge transfer. A simple physical model is proposed in order to estimate the amount of charge transfer, which has been a matter of controversy in graphite intercalation compounds. The band structure of C₈K is calculated self-consistently by the present method and the amount of the charge transfer is determined non-empirically to be 0.6. The obtained band structure is almost the same as that calculated by the tight binding method.

収録刊行物

• Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ

  Ｊｏｕｒｎａｌ　ｏｆ　ｔｈｅ　Ｐｈｙｓｉｃａｌ　Ｓｏｃｉｅｔｙ　ｏｆ　Ｊａｐａｎ 47 (4), 1125-1133, 1979

  一般社団法人 日本物理学会

キーワード

• General Physics and Astronomy

詳細情報

• CRID: 1390001204184499712
• NII論文ID: 210000088066
• NII論文ID: 110001964425
• NII論文ID: 130003737857
• NII書誌ID: AA00704814
• DOI: 10.1143/jpsj.47.1125
• BIBCODE: 1979JPSJ...47.1125O
• COI: 1:CAS:528:DyaE1MXmtFOjt7w%3D
• ISSN: 13474073
• ISSN: 00319015
• NDL書誌ID: 2065243
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I2065243
• Web Site: http://journals.jps.jp/doi/pdf/10.1143/JPSJ.47.1125
• 本文言語コード: en
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