The interplay between antiferromagnetism and superconductivity is studied by using the three-dimensional nearly half-filled Hubbard model with anisotropic transfer matrices
tz and ${t}_{\ensuremath{\perp}}.$ The phase diagrams are calculated for varying values of the ratio ${r}_{z}{=t}_{z}{/t}_{\ensuremath{\perp}}$ using the spin fluctuation theory within the fluctuation-exchange approximation. The antiferromagnetic phase around the half-filled electron density expands while the neighboring phase of the anisotropic ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave superconductivity shrinks with increasing
rz. For small
rz Tc decreases slowly with increasing
rz. For moderate values of
rz we find a second order transition, with lowering temperature, from the ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave superconducting phase to a phase where an incommensurate spin density wave (SDW) coexists with ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave superconductivity. Resonance peaks discussed previously for two-dimensional (2D) superconductors are shown to survive in the ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave superconducting phase of 3D systems. Soft components of the incommensurate SDW spin fluctuation mode grow as the coexistent phase is approached.
Quasiparticle bands of the two-dimensional Hubbard model are calculated using the Roth two-pole approximation to the one-particle Green's function. Excellent agreement is obtained with recent Monte Carlo calculations, including an anomalous volume of the Fermi surface near half-filling, which can possibly be explained in terms of a breakdown of Fermi liquid theory. The calculated bands are very flat around the (\ensuremath{\pi},0) points of the Brillouin zone in agreement with photoemission measurements of cuprate superconductors. With doping there is a shift in spectral weight from the upper band to the lower band. The Roth method is extended to deal with superconductivity within a four-pole approximation allowing electron-hole mixing. It is shown that triplet p-wave pairing never occurs. A self-consistent solution with singlet ${\mathit{d}}_{{\mathit{x}}^{2}\mathrm{\ensuremath{-}}{\mathit{y}}^{2}}$-wave pairing is found and optimal doping occurs when the van Hove singularity, corresponding to the flat band part, lies at the Fermi level. Nearest-neighbor antiferromagnetic correlations play an important role in flattening the bands near the Fermi level and in favoring superconductivity. However, the mechanism for superconductivity is a local one, in contrast to spin-fluctuation exchange models. For reasonable values of the hopping parameter the transition temperature
Tc is in the range 10--100 K. The optimum doping ${\mathrm{\ensuremath{\delta}}}_{\mathit{c}}$ lies between 0.14 and 0.25, depending on the ratio U/t. The gap equation has a BCS-like form and 2${\mathrm{\ensuremath{\Delta}}}_{\mathrm{max}}$/
kTc\ensuremath{\simeq}4.
By using variational wave functions and quantum Monte Carlo techniques, we investigate the interplay between electron-electron and electron-phonon interactions in the two-dimensional Hubbard-Holstein model. Here, the ground-state phase diagram is triggered by several energy scales, i.e., the electron hopping
t, the on-site electron-electron interaction
U, the phonon energy ${\ensuremath{\omega}}_{0}$, and the electron-phonon coupling
g. At half filling, the ground state is an antiferromagnetic insulator for $U\ensuremath{\gtrsim}2{g}^{2}/{\ensuremath{\omega}}_{0}$, while it is a charge-density-wave (or bipolaronic) insulator for $U\ensuremath{\lesssim}2{g}^{2}/{\ensuremath{\omega}}_{0}$. In addition to these phases, we find a superconducting phase that intrudes between them. For ${\ensuremath{\omega}}_{0}/t=1$, superconductivity emerges when both
U/t and $2{g}^{2}/t{\ensuremath{\omega}}_{0}$ are small; then, by increasing the value of the phonon energy ${\ensuremath{\omega}}_{0}$, it extends along the transition line between antiferromagnetic and charge-density-wave insulators. Away from half filling, phase separation occurs when doping the charge-density-wave insulator, while a uniform (superconducting) ground state is found when doping the superconducting phase. In the analysis of finite-size effects, it is extremely important to average over twisted boundary conditions, especially in the weak-coupling limit and in the doped case.
The two-dimensional Hubbard model near half-filling is studied using a configuration-interaction method. Superconducting order-parameter and spin-spin correlation functions are calculated as functions of distance to probe for superconductivity and antiferromagnetism. Consistent with our previous results, these more extensive calculations point toward d-wave superconductivity in the ground state of the two-dimensional repulsive Hubbard model. The d-wave correlations tend to increase with interaction strength, size of the state space used in the calculation, and doping away from half-filling. The superconducting correlations on the Fermi surface are interpreted as d-wave pairing between spin density-wave quasiparticles.
Cooperation and competition between the antiferromagnetic,
d-wave superconducting, and Mott-insulating states are explored for the two-dimensional Hubbard model including nearest and next-nearest-neighbor hoppings at zero temperature. Using the variational cluster approach with clusters of different shapes and sizes up to 10 sites, it is found that the doping-driven transition from a phase with microscopic coexistence of antiferromagnetism and superconductivity to a purely superconducting phase is discontinuous for strong interaction and accompanied by phase separation. At half-filling the system is in an antiferromagnetic Mott-insulating state with vanishing charge compressibility. Upon decreasing the interaction strength
U below a certain critical value of roughly ${U}_{c}\ensuremath{\sim}4$ (in units of the nearest-neighbor hopping), however, the filling-dependent magnetic transition changes its character and becomes continuous. Phase separation or, more carefully, the tendency towards the formation of inhomogeneous states disappears. This critical value is in contrast to previous studies, where a much larger value was obtained. Moreover, we find that the system at half-filling undergoes the Mott transition from an insulator to a state with a finite charge compressibility at essentially the same value. The weakly correlated state at half-filling exhibits superconductivity microscopically admixed to the antiferromagnetic order. This scenario suggests a close relation between phase separation and the Mott-insulator physics.