It is important to understand the phase diagram of electronic states in the CuO2 plane to clarify the mechanism of high-temperature superconductivity. We investigate the ground state of electronic models with strong correlation by employing the optimization variational Monte Carlo method. We consider the two-dimensional Hubbard model as well as the three-band [Formula: see text]–[Formula: see text] model. We use the improved wave function that takes account of inter-site electron correlation to go beyond the Gutzwiller wave function. The ground state energy is lowered considerably, which now gives the best estimate of the ground state energy for the two-dimensional Hubbard model. The many-body effect plays an important role as an origin of spin correlation and superconductivity in correlated electron systems. We investigate the competition between the antiferromagnetic state and superconducting state by varying the Coulomb repulsion [Formula: see text], the band parameter [Formula: see text] and the electron density [Formula: see text] for the Hubbard model. We show phase diagrams that include superconducting and antiferromagnetic phases. We expect that high-temperature superconductivity occurs near the boundary between antiferromagnetic phase and superconducting one. Since the three-band [Formula: see text]–[Formula: see text] model contains many-band parameters, high-temperature superconductivity may be more likely to occur in the [Formula: see text]–[Formula: see text] model than in single-band models.
We study the three-band Hubbard model for the copper oxide plane of the high-temperature superconducting cuprates using determinant quantum Monte Carlo and the dynamical cluster approximation (DCA) and provide a comprehensive view of the pairing correlations in this model using these methods. Specifically, we compute the pair-field susceptibility and study its dependence on temperature, doping, interaction strength, and charge-transfer energy. Using the DCA, we also solve the Bethe-Salpeter equation for the two-particle Green's function in the particle-particle channel to determine the transition temperature to the superconducting phase on smaller clusters. Our calculations reproduce many aspects of the cuprate phase diagram and indicate that there is an ``optimal'' value of the charge-transfer energy for the model where
Tc is largest. These results have implications for our understanding of superconductivity in both the cuprates and other doped charge-transfer insulators.
A constrained path quantum Monte Carlo simulation is performed to investigate the superconducting pairing correlation in doped staggered-flux Hubbard model on a square lattice, which is an interesting platform to host Dirac fermions. For various electron fillings and interaction strengths, the [Formula: see text] pairing dominates over other pairing forms since its long-range correlation is larger over mostly distances. We deepen our study by including the nearest-neighbor interaction [Formula: see text] and found the [Formula: see text] pairing correlation is slightly suppressed by increasing [Formula: see text].
We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors has been extensively studied on the basis of various electronic models and also electron-phonon models. In this study, we investigate the properties of superconductivity in correlated-electron systems by using numerical methods such as the variational Monte Carlo method and the quantum Monte Carlomethod. The Hubbard model is one of basic models for strongly correlated electron systems, and is regarded as the model of cuprate high temperature superconductors. The d-p model is more realistic model for cuprates. The superconducting condensation energy obtained by adopting the Gutzwiller ansatz is in reasonable agreement with the condensation energy estimated for YBa2Cu3O7. We show the phase diagram of the ground state using this method. We have further investigated the stability of striped and checkerboard states in the under-doped region. Holes doped in a half-filled square lattice lead to an incommensurate spin and charge density wave. The relationship of the hole density x and incommensurability δ, δ~x, is satisfied in the lower doping region, as indicated by the variationalMonte Carlocalculations for the two-dimensional Hubbard model. A checkerboard-like charge-density modulation with a roughly period has also been observed by scanning tunneling microscopy experiments in Bi2212 and Na-CCOC compounds. We have performed a variational Monte Carlo simulation on a two-dimensional t-t′-t″- U Hubbard model with a Bi-2212 type band structure and found that the period checkerboard spin modulation, that is characterized by multi Q vectors, is indeed stabilized. We have further performed an investigation by using a quantumMonte Carlomethod, which is a numerical method that can be used to simulate the behavior of correlated electron systems. We present a new algorithm of the quantum Monte Carlo diagonalization that is a method for the evaluation of expectation value without the negative sign problem. We compute pair correlation functions and show that pair correlation is indeed enhanced with hole doping.
The two-dimensional Hubbard model is widely believed to capture the key ingredients of high-temperature superconductivity in cuprate materials. Here we report a constrained path quantum Monte Carlo study of the square-lattice extended Hubbard model with on-site Coulomb repulsion
U and nearest-neighbor (NN) electron attraction
V. Upon doping $\ensuremath{\delta}$ = 0.125, we find that NN electron attraction
V significantly promotes an exotic spin-triplet (
p-wave) pairing, with the
p-wave pairing correlations growing stronger as
V increases. Meanwhile, the ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$-wave (
d-wave) pairing in the intermediate coupling regime shows an insignificant response to the increase of
V. The spin density wave order, which is observed near half filling in the particle-hole channel, is also almost unaffected by the NN electron attraction
V, reinforcing the established relationship between
d-wave superconductivity (SC) and spin order. As the doping becomes heavier (i.e., $\ensuremath{\delta}$ increases), the dominant region of
p-wave pairing expands, further suppressing the presence of
d-wave pairing. Our paper suggests the
p-wave pairing region can be induced and further broadened by the NN electron attraction
V, offering a feasible mechanism to realize
p-wave SC in realistic cuprate materials.
Motivated by the recent novel electronic features extracted from the magic-angle graphene superlattices, we studied the ground state superconducting pairing correlations within the Hubbard model on a twisted bilayer honeycomb lattice. Using Constrained-Path Quantum Monte Carlo method, we found that the [Formula: see text] pairing correlation dominates over other pairing patterns among various electron fillings and interaction strengths, and the effective pairing interaction was enhanced as the on-site Coulomb interaction increased. We further examined the effect of the nearest neighbor interaction [Formula: see text], and the effective pairing interaction with [Formula: see text] pairing symmetry was also enhanced by either a repulsive or attractive interaction. Our intensive numerical results confirm the interaction driven superconductivity with a dominant [Formula: see text] pairing symmetry in twisted bilayer graphene.