Self-Consistent calculation of the Band Structure of C8K Including the Charge Transfer Effect
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- Ohno Takahisa
- Department of Physics, University of Tokyo
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- Nakao Kenji
- Department of Physics, University of Tokyo
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- Kamimura Hiroshi
- Department of Physics, University of Tokyo
書誌事項
- タイトル別名
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- Self-Consistent Calculation of the Band Structure of C<SUB>8</SUB>K Including the Charge Transfer Effect
- Self Consistent calculation of the Band
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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
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- Journal of the Physical Society of Japan
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Journal of the Physical Society of Japan 47 (4), 1125-1133, 1979
一般社団法人 日本物理学会
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詳細情報 詳細情報について
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- CRID
- 1390001204184499712
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- NII論文ID
- 210000088066
- 110001964425
- 130003737857
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- NII書誌ID
- AA00704814
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- BIBCODE
- 1979JPSJ...47.1125O
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- COI
- 1:CAS:528:DyaE1MXmtFOjt7w%3D
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 2065243
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可