Effective on-site Repulsion in Molecular Conductors with Dimeric Structure: Is the Transfer Integral a Good Measure of Correlation?
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- Tamura Masafumi
- Condensed Molecular Materials Lab., RIKEN
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- Kato Reizo
- Condensed Molecular Materials Lab., RIKEN
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The effective repulsive energy between the carriers in a molecular dimer has been examined in terms of the extended Hubbard model. The intermolecular Coulomb repulsion, V, rather than the intradimer transfer integral, t, has been shown to give major contribution to the effective repulsion in a strongly dimerized case. The effective repulsion of the dimer, as well as t, increases upon dimerization, for this reason. This analysis has been applied also to a two-level system, so that the strength of correlation is related to the structural features.
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 73 (11), 3108-3110, 2004
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
- 1390001204186254336
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- NII論文ID
- 110001979264
- 130004538657
- 210000105155
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- NII書誌ID
- AA00704814
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- BIBCODE
- 2004JPSJ...73.3108T
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- COI
- 1:CAS:528:DC%2BD2MXnslamsw%3D%3D
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- ISSN
- 13474073
- 00319015
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- NDL書誌ID
- 7157055
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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
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- CiNii Articles
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- 使用不可