Abstract

Recently an X-ray experiment reported a coexisting phase of purely-electronic 2 k F charge density wave (CDW) and the conventional 2 k F spin density wave (SDW) in (TMTSF) 2PF 6. In order to understand such coexistence, we have performed a mean-field calculation for a Hubbard-type model of a quarter-filled one-dimensional chain. It is found that the coexistence of 2 k F SDW and purely-electronic 2 k F CDW is realized due to the effect of next-nearest-neighbor Coulomb repulsion. Phase diagrams are obtained as a function of nearest-and next-nearest-neighbor Coulomb interaction energies. Competition between the two coexistent states with 2 k F CDW and with 4 k F CDW is revealed, which gives a first order transition. It turns out that the internal degrees of freedom inside a dimer (consisting of two TMTSF molecules) play an important role. Our result supports the X-ray result of a coexisting phase in (TMTSF) 2PF 6.

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