Charge Ordering in ?-(BEDT-TTF) 2 X Materials

Charge Ordering in ?-(BEDT-TTF) 2 X Materials
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?-(BEDT-TTF) 2 X 材料中的电荷排序

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发表时间:
2002
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通讯作者:
D. Campbell
D. Campbell
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作者:
R. T. Clay;S. Mazumdar;D. Campbell

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理论研究了θ-(BEDT-TTF)2X材料各向异性三角晶格上的电荷有序态.使用精确对角化研究,我们建立了电荷有序(CO)图案对应于“水平”条纹结构,其中(dots)1100(dots)CO沿着具有较大电子跳跃的两个方向(p -方向),并且(dots)1010(dots)CO沿着第三方向(c -方向)。在最高自旋状态下,CO伴随着沿着所有三个方向的合作键二聚化沿着。在最低自旋状态下,键沿着p -方向四聚.我们的理论解释了电荷诱导的高温转变以及自旋能隙转变在较低温度下的发生。
We theoretically investigate charge ordered states on the anisotropic triangular lattice characteristic of the θ-(BEDT-TTF) 2 X materials. Using exact diagonalization studies, we establish that the charge order (CO) pattern corresponds to a “horizontal” stripe structure, with (dots)1100(dots) CO along the two directions with larger electron hopping ( p -directions), and (dots)1010(dots) CO along the third direction ( c -direction). The CO is accompanied by co-operative bond dimerizations along all three directions in the highest spin state. In the lowest spin state bonds along the p -directions are tetramerized. Our theory explains the occurrence of a charge-induced high temperature transition as well as a spin gap transition at lower temperature.