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Mean-field study of charge order with long periodicity in $θ$-(BEDT-TTF)$_2$X

Masato Kaneko·Masao Ogata
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Abstract

Charge ordering phenomenon in $θ$-(BEDT-TTF)$_2$X is studied by using 1/4-filled extended Hubbard model on an anisotropic triangular lattice through mean-field approximation. It is found that a metallic charge ordered state with 3-periodicity on lattices (3-fold type charge order) is realized in the realistic parameter region where the nearest neighbor Coulomb interaction V$_{ij}$ is nearly isotropic. This 3-fold state survives up to high temperatures by estimating the free energy. Insulating state with diagonal or vertical-type charge ordering appears as increasing anisotropy of V$_{ij}$. Considering the effect of the structural distortion observed in $θ$-(BEDT-TTF)$_2$RbZn(SCN)$_4$ at low temperatures, horizontal-type charge ordered insulating phase tends to be stabilized and the region where 3-fold type exists becomes narrower. Our results are consistent with the metallic state with long periodic charge order which can be related to 3-fold type in $θ$-(BEDT-TTF)$_2$RbZn(SCN)$_4$ at high temperatures and insulating state with horizontal charge order at low temperatures. For $θ$-(BEDT-TTF)$_2$CsZn(SCN)$_4$, we speculate several kinds of charge-ordered states are energetically competing with each other leading to an inhomogeneous state at low temperatures.

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Masato Kaneko, Masao Ogata. 2005-10-21. Mean-field study of charge order with long periodicity in $θ$-(BEDT-TTF)$_2$X. https://doi.org/10.1143/jpsj.75.014710

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