Charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4: Cooperative effects of electron correlations and lattice distortions

Details Charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4: Cooperative effects of electron correlations and lattice distortions Charge ordering in θ-(BEDT-TTF)2RbZn(SCN)4: Cooperative effects of electron correlations and lattice distortions

2007-04-23

arxiv.org/abs/0704.3033v2

Physics

Condensed Matter

Strongly Correlated Electrons

7 peges, 7 figures, accepted for publication in Phys. Rev. B

Scientific paper

10.1103/PhysRevB.75.245112

Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in \theta-(BEDT-TTF)2RbZn(SCN)4 theoretically in a two-dimensional 3/4-filled extended Hubbard model with electron-lattice couplings. It is known that this material undergoes a phase transition from a high-symmetry metallic state to a low-symmetry insulating state with a horizontal-stripe charge order (CO) by lowering temperature. By means of the exact-diagonalization method, we show that electron-phonon interactions are crucial to stabilize the horizontal-stripe CO and to realize the low-symmetry crystal structure.

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