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We investigate the ground state of the two-dimensional three-band d-p model for for high-temperature superconductors on the basis of a variational Monte Carlo method. We employ an optimization variational Monte Carlo method that we have developed recently. The many-body wave function is improved beyond the Gutzwiller ansatz by adopting the wave function in the form ψ = exp(−S)ψG where ψG represents the Gutzwiller function and S is a kinetic operator. The strong magnetic correlation and also superconductivity (SC) are induced by the on-site Coulomb repulsive interaction. It is important to clarify the phase diagram that includes superconductive phase and antiferromagnetic phase. We show the phase diagram to show the antiferromagnetic region in the parameter space. High-temperature superconductivity may occur in the strongly correlated region near the antiferromagnetic boundary.

Antiferromagnetism, superconductivity and phase diagram in the three-band model of high-temperature cuprates