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arXiv 0704.3033cond-mat.str-el
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θ-(BEDT-TTF)2 RbZn(SCN)4中的电荷有序:电子关联和晶格畸变的协同效应

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

Satoshi Miyashita, Kenji Yonemitsu

摘要:

在考虑电子-晶格耦合的二维3/4填充扩展哈伯德模型中,从理论上研究了电子关联和晶格畸变对θ-(BEDT-TTF)2 RbZn(SCN)4中电荷有序的综合影响.已知该材料通过降低温度经历从高对称性金属态到具有水平条纹电荷序(CO)的低对称性绝缘态的相变。通过精确对角化方法,我们证明了电子-声子相互作用是稳定水平条纹CO和实现低对称性晶体结构的关键。

英文摘要:

Combined effects of electron correlations and lattice distortions are investigated on the charge ordering in θ-(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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