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 for an extended Hubbard model with Peierls-type electron-lattice interactions within the Hartree-Fock approximation. It is found that the lattice effects stabilize the experimentally observed charge order substantially in θ-(ET)2RbZn(SCN) 4, whereas the energy gain by a lattice distortion is small and its band structure and Coulomb interactions play an important role to realize the charge order in α-(ET)2I3. The results are consistent with experimental observations and show contrastive roles of lattice degrees of freedom on charge orders in these compounds.
本文言語 | English |
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論文番号 | 042204 |
ジャーナル | Journal of Physics: Conference Series |
巻 | 150 |
号 | 4 |
DOI | |
出版ステータス | Published - 2009 |
外部発表 | はい |
ASJC Scopus subject areas
- 物理学および天文学(全般)