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Electronic State of NaxCoO2 Based on the Two Dimensional Triangular Lattice d-p Model
http://hdl.handle.net/10191/26889
http://hdl.handle.net/10191/268897fbbd18f-a24e-46e7-bb25-b20f77e96874
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1003.pdf (413.3 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2014-04-16 | |||||
タイトル | ||||||
タイトル | Electronic State of NaxCoO2 Based on the Two Dimensional Triangular Lattice d-p Model | |||||
タイトル | ||||||
言語 | en | |||||
タイトル | Electronic State of NaxCoO2 Based on the Two Dimensional Triangular Lattice d-p Model | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Triangular lattice d-p model | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Fermi surface | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Antiferromagnetism | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | NaxCoO2 | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
Yamakawa, Y.
× Yamakawa, Y.× Ono, Y. |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The electronic state in a CoO2 plane of the layered cobalt oxides NaxCoO2 is investigated by using the 11 band d–p model on a two-dimensional triangular lattice, where the tight-binding parameters are determined so as to fit the LDA band structure. Effects of the Coulomb interaction at a Co site: the intra- and inter-orbital direct terms U and U', the exchange coupling J and the pair-transfer J', are treated within the Hartree–Fock approximation. We also consider the effect of the Na order at x = 0.5, where Na ions form one-dimensional chains, by taking into account an effective one-dimensional potential Δεd on the CoO2 plane. It is found that the Na order enhances the Fermi surface nesting, resulting in the antiferromagnetism (AFM) which is suppressed due to the frustration effect in the case without the Na order. When U and Δεd are varied, we observe three types of AFM: (1) metallic AFM with large density of states NF at the Fermi level for small values of U and Δεd, (2) the semimetallic AFM with tiny NF for large U with small Δεd, and (3) the insulating AFM with a finite energy gap for large values of U and Δεd. | |||||
書誌情報 |
Journal of Physics: Condensed Matter en : Journal of Physics: Condensed Matter 巻 19, 号 14, p. 145289-1-145289-5, 発行日 2007-03 |
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出版者 | ||||||
出版者 | IOP Publishing | |||||
ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 09538984 | |||||
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収録物識別子タイプ | NCID | |||||
収録物識別子 | AA10672168 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | info:doi/10.1088/0953-8984/19/14/145289 | |||||
著者版フラグ | ||||||
値 | author |