Charge ordering in theta-(BEDT-TTF)2 X materials
R. T. Clay, S. Mazumdar, D. K. Campbell
Abstract
We investigate theoretically charge ordered states on the anisotropic triangular lattice characteristic of the theta-(BEDT-TTF)2 X materials. Using exact diagonalization studies, we establish that the charge order (CO) pattern corresponds to a ``horizontal'' stripe structure, with ...1100... CO along the two directions with larger electron hopping (p-directions), and ...1010... 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 occurence of a charge-induced high temperature transition as well as a spin gap transition at lower temperature.
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