Charge order with structural distortion in organic conductors: Comparison between θ-(ET)2RbZn(SCN)4 and α-(ET) 2I3

Yasuhiro Tanaka*, Kenji Yonemitsu

*この研究の対応する著者

研究成果: Article査読

37 被引用数 (Scopus)

抄録

Charge ordering with structural distortion in quasi-two-dimensional organic conductors θ-(ET)2RbZn(SCN)4 (ET = BEDT-TTF) and α-(ET)2I3 is investigated theoretically. By using the Hartree-Fock approximation for an extended Hubbard model which includes both on-site and intersite Coulomb interactions together with Peierls-type electron-lattice couplings, we examine the role of lattice degrees of freedom on charge order. It is found that the experimentally observed, horizontal charge order is stabilized by lattice distortion in both compounds. In particular, the lattice effect is crucial to the realization of the charge order in θ-(ET)2RbZn(SCN)4, while the peculiar band structure whose symmetry is lower than that of θ-(ET)2RbZn(SCN) 4 in the metallic phase is also an important factor in α-(ET)2I3 together with the lattice distortion. For α-(ET)2I3, we obtain a phase transition from a charge-disproportionated metallic phase to the horizontal charge order with lattice modulations, which is consistent with the latest X-ray experimental result.

本文言語English
論文番号034708
ジャーナルjournal of the physical society of japan
77
3
DOI
出版ステータスPublished - 2008 3月
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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