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Journal of Physics Conference Series

Optimized wave function by kinetic renormalization effect in strongly correlated region of the three-band Hubbard model

Takashi Yanagisawa, Izumi Hase, Mitake Miyazaki, Yamaji K.

Published Jul 1, 2018• 2 citations
Publisher

Abstract

We investigate the ground state of the two-dimensional single-band Hubbard model and three-band Hubbard model (d-p model) by using a variational Monte Carlo method. We employ an optimization variational Monte Carlo method. In this method the many-body wave function is improved and optimized by introducing variational parameters in the form: ψ = exp(- S ) ψ 0 where ψ 0 is a wave function, for example, the Gutzwiller function, and S is an operator used to include the many-body effect. The strong magnetic correlation is induced by the on-site Coulomb repulsive interaction U . The magnetic correlation plays a significant role in correlated electron systems as an origin of electron pairing as well as a main competitor of superconductivity. High-temperature superconductivity occurs in the strongly correlated region where U is greater than the bandwidth. We investigate the stability of antiferromagnetic state in the three-band d-p model.

DOI
10.1088/1742-6596/1054/1/012017

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We investigate the ground state of the two-dimensional single-band Hubbard model and three-band Hubbard model (d-p model) by using a variational Monte Carlo method. We employ an optimization variational Monte Carlo method. In this method the many-body wave function is improved and optimized by introducing variational parameters in the form: ψ = exp(- S ) ψ 0 where ψ 0 is a wave function, for example, the Gutzwiller function, and S is an operator used to include the many-body effect. The strong magnetic correlation is induced by the on-site Coulomb repulsive interaction U . The magnetic correlation plays a significant role in correlated electron systems as an origin of electron pairing as well as a main competitor of superconductivity. High-temperature superconductivity occurs in the strongly correlated region where U is greater than the bandwidth. We investigate the stability of antiferromagnetic state in the three-band d-p model.
Abstract 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.
We investigate the electronic properties of the ground state of strongly correlated electron systems. We use an optimization variational Monte Carlo method for the two-dimensional Hubbard model and the three-band d-p model. The many-body wavefunction is improved and optimized by introducing variational parameters that control the correlation between electrons. The on-site repulsive Coulomb interaction U induces strong antiferromagnetic (AF) correlation. There is a crossover from weakly to strongly correlated regions as U increases. We show an idea that high-temperature superconductivity occurs as a result of this crossover in the strongly correlated region where U is greater than the bandwidth.
We investigate the ground state of strongly correlated electron systems based on an optimization variational Monte Carlo method to clarify the mechanism of high-temperature superconductivity. The wave function is optimized by introducing variational parameters in an exponential-type wave function beyond the Gutzwiller function. The many-body effect plays an important role as an origin of superconductivity in a correlated electron system. There is a crossover between weakly correlated region and strongly correlated region, where two regions are characterized by the strength of the on-site Coulomb interaction U. We insist that high-temperature superconductivity occurs in the strongly correlated region.
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 investigate the role of kinetic energy for the stability of superconducting state in the two-dimensional Hubbard model on the basis of an optimization variational Monte Carlo method. The wave function is optimized by multiplying by correlation operators of site off-diagonal type. This wave function is written in an exponential-type form given as ψλ=exp(−λK)ψG for the Gutzwiller wave function ψG and a kinetic operator K. The kinetic correlation operator exp(−λK) plays an important role in the emergence of superconductivity in large-U region of the two-dimensional Hubbard model, where U is the on-site Coulomb repulsive interaction. We show that the superconducting condensation energy mainly originates from the kinetic energy in the strongly correlated region. This may indicate a possibility of high-temperature superconductivity due to the kinetic energy effect in correlated electron systems.
We investigate the ground state of two-dimensional Hubbard model on the basis of the variational Monte Carlo method. We use wave functions that include kinetic correlation and doublon-holon correlation beyond the Gutzwiller ansatz. It is still not clear whether the Hubbard model accounts for high-temperature superconductivity. The antiferromagnetic correlation plays a key role in the study of pairing mechanism because the superconductive phase exists usually close to the antiferromagnetic phase. We investigate the stability of the antiferromagnetic state when holes are doped as a function of the Coulomb repulsion U . We show that the antiferromagnetic correlation is suppressed as U is increased exceeding the bandwidth. High-temperature superconductivity is possible in this region with enhanced antiferromagnetic spin fluctuation and pairing interaction.