K. Penc et F. Mila, CHARGE GAP IN THE ONE-DIMENSIONAL DIMERIZED HUBBARD-MODEL AT QUARTER-FILLING, Physical review. B, Condensed matter, 50(16), 1994, pp. 11429-11445
We propose a quantitative estimate of the charge gap that opens in the
one-dimensional dimerized Hubbard model at quarter-filling due to dim
erization, which makes the system effectively half-filled, and to repu
lsion, which induces umklapp scattering processes. Our estimate is exp
ected to be valid for any value of the repulsion and of the parameter
describing the dimerization. It is based on analytical results obtaine
d in various limits (weak coupling, strong coupling, large dimerizatio
n) and on numerical results obtained by exact diagonalization of small
clusters. We consider two models of dimerization: alternating hopping
integrals and alternating on-site energies. The former should be appr
opriate for the Bechgaard salts, the latter for compounds where the st
acks are made of alternating TMTSF and TMTTF molecules.