The Origin of the Charge Ordering and Its Relevance to Superconductivity in $\theta$-(BEDT-TTF)$_2$X: The Effect of the Fermi Surface Nesting and the Distant Electron-Electron Interactions

Abstract

The origin of the charge ordering in organic compounds $\theta$-(BEDT-TTF)$_2 X$ ($X=MM'$(SCN)$_4$, $M=$Tl,Rb,Co, $M'=$Cs,Zn) is studied using an extended Hubbard model. Calculating the charge susceptibility within random phase approximation (RPA), we find that the $(3\times 3)\sim (3\times 4)$ charge ordering observed at relatively high temperatures can be considered as a consequence of a cooperation between the Fermi surface nesting, controlled by the hopping integral in the $c$ direction, and the electron-electron interactions, where the distant (next nearest neighbor) interactions that have not been taken into account in most of the previous studies play an important role.Mean field analysis at T=0 also supports the RPA results, and further shows that in the $3\times 3$ charge ordered state, some portions of the Fermi surface remain ungapped and are nested with a nesting vector close to the modulation wave vector of the horizontal stripe ordering observed at low temperatures in $X=MM'$(SCN)$_4$. We further study the possibility of superconductivity by taking into account the distant off-site repulsions and the band structure corresponding to $X=$I$_3$, in which superconductivity is experimentally observed. We find that there is a close competition between $d_{xy}$-wave-like singlet pairing and $p_{x+2y}$-wave-like triplet pairing due to a cooperation between the charge and the spin fluctuations. The present analysis provides a possible unified understanding of the experimental phase diagram of the $\theta$-(BEDT-TTF)$_2 X$ family, ranging from a charge ordered insulator to a superconductor.