We investigate the ground-state phase diagram of the two-dimensional Hubbard model based on the optimization variational Monte Carlo method. We use a wave function that is an off-diagonal type given as
ψ=exp(−λK)PGψ0, where
ψ0 is a one-particle state,
PG is the Gutzwiller operator,
K is the kinetic operator, and
λ is a variational parameter. The many-body effect plays an important role as an origin of spin correlation and superconductivity in correlated electron systems. We examine the competition between the antiferromagnetic state and superconducting state by varying the Coulomb repulsion
U, the band parameter
t′ and the electron density
ne. We show a phase diagram that includes superconducting and antiferromagnetic phases and that
t′=0 is most favorable for superconductivity.
The coexistence or exclusivity of
dx2−y2-wave superconducting (d-SC) and antiferromagnetic (AF) orders and instability toward phase separation (PS) are reconsidered for the square-lattice t–J model with the diagonal transfer (t′) term near half filling. To reliably treat the strong correlation including the local constraint of no double occupancy, we use a variational Monte Carlo method, in which the band-renormalization effect (BRE) is also incorporated. The results are compared with those recently obtained for the corresponding Hubbard model [J. Phys. Soc. Jpn. 85, 074701 (2016)]. It is found that BRE has a very strong effect on the AF order and greatly modifies the ground-state phase diagram in the t′–δ space (δ: doping rate) proposed in previous studies, especially for large |t′/t|. In a wide range of t′/t (|t′/t| ≤ 0.5) and for any underdoped δ (
≲ 0.15), the AF order arises for J/t = 0.3, similarly to in the Hubbard model. In contrast with the Hubbard model, however, the d-SC order also arises down to small δ in a wide range of t′/t (
≳ −0.2) and coexists with the AF order even for t′/t < 0 (type-II AF regime). Furthermore, there is no instability toward PS for any t′/t and δ for J/t = 0.3.
In this paper, using the local approach, we calculated the correlation energy, the local moments and the polarisation around the local moments in paramagnetic phase up to second order in the extended Hubbard model. It is shown that the polarisation is always antiferro-magnetic for different values of W. The correlation energy increases with W increasing for n = 1 and large U. The local moments and the antiferromagnetic polarisation decrease with W increasing for fixed n and U. While the effect of W on both the local moments and the antiferromagnetic polarisation is not obvious for small n or for large U and n = 1.