N. Kobayashi et al., COEXISTENCE OF SDW AND PURELY-ELECTRONIC CDW IN QUARTER-FILLED ORGANIC CONDUCTORS, Journal of the Physical Society of Japan, 67(4), 1998, pp. 1098-1101
We have performed a mean field calculation in order to determine the g
round state of a modified Hubbard model of a quarter-filled one-dimens
ional chain. It is found that the coexistence of 2k(F) spin density wa
ve (SDW) and purely-electronic 2k(F) charge density wave (CDW) is real
ized due to the effect of next-nearest-neighbor Coulomb repulsion. Pha
se diagrams are obtained as the values of nearest-and next-nearest-nei
ghbor Coulomb interaction energies are varied. Competition between the
two coexistent states with 2k(F) CDW and 4k(F) CDW is revealed, which
gives a first order transition. Our result supports the X-ray result
confirming the presence of a coexisting phase of purely-electronic 2k(
F) CDW and 2k(F) SDW in (TMTSF)(2)PF6, a quarter-filled one-dimensiona
l chain in terms of holes.