A. Painelli et al., Symmetrized mean-field description of magnetic instabilities in kappa-(BEDT-TTF)(2)Cu[N(CN)](2)Y salts - art. no. 054509, PHYS REV B, 6405(5), 2001, pp. 4509
We present a convenient mean-field method, and apply it to study the metall
ic/antiferromagnetic interface of kappa-(BEDT-TTF)(2)Cu[N(CN)](2)Y organic
superconductors (BEDT-TTF is bis-ethylendithio-tetrathiafulvalene, Y = Cl,B
r). The method, which fully exploits the crystal symmetry, allows one to ob
tain the mean-field solution of the two-dimensional Hubbard model for very
large lattices (typically 6 x 10(5) sites), yielding a reliable description
of the phase boundary in a wide region of the parameter space. The metal/a
ntiferromagnet transition appears to be second order, except for a narrow r
egion of the parameter space, where the transition is very sharp and possib
ly first order. The coexistence of metallic and antiferromagnetic propertie
s is only observed for the transient state in the case of smooth second ord
er transitions. The relevance of the present results to the complex experim
ental behavior of centrosymmetric kappa-(BEDT-TTF)(2)Cu[N(CN)](2)Y salts is
discussed.