Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2007-05-16
Journal of the Physical Society of Japan Vol.76 No.5 (2007) 053708
Physics
Condensed Matter
Strongly Correlated Electrons
Scientific paper
10.1143/JPSJ.76.053708
Charge ordering accompanied by lattice distortion in quasi-two dimensional organic conductors \theta-(ET)2X (ET=BEDT-TTF) is studied by using an extended Hubbard model with Peierls-type electron-lattice couplings within the Hartree-Fock approximation. It is found that the horizontal-stripe charge-ordered state, which is experimentally observed in \theta-(ET)2RbZn(SCN)4, is stabilized by the self-consistently determined lattice distortion. Furthermore, in the presence of the anisotropy in nearest-neighbor Coulomb interactions Vij, the horizontal charge order becomes more stable than any other charge patterns such as diagonal, vertical and 3-fold-type states. At finite temperatures, we compare the free energies of various charge-ordered states and find a first-order transition from a metallic state with 3-fold charge order to the insulating state with the horizontal charge order. The role of lattice degrees of freedom in the realization of the horizontal charge order and the relevance to experiments on \theta-(ET)2X are discussed.
Tanaka Yasuhiro
Yonemitsu Kenji
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