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Journal of Physics Conference Series

Magnetsim, Fluctuations and Mechanism of High-Temperature Superconductivity

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

Published Jul 1, 2017• 0 citations
Publisher

Abstract

We investigate the ground state of the two-dimensional d-p model (three-band Hubbard model) by using a variational Monte Carlo method. The superconducting condensation energy is evaluated for the Gutzwiller-BCS wave function. We show that there is a crossover between strongly and weakly correlated regions as the level difference between d and p orbitals increases. The gap function and the condensation energy can be large in the crossover region. This result indicates a possibility of high-temperature superconductivity in the two-dimensional d-p model.

DOI
10.1088/1742-6596/871/1/012015

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We investigate the ground state of the two-dimensional d-p model (three-band Hubbard model) by using a variational Monte Carlo method. The superconducting condensation energy is evaluated for the Gutzwiller-BCS wave function. We show that there is a crossover between strongly and weakly correlated regions as the level difference between d and p orbitals increases. The gap function and the condensation energy can be large in the crossover region. This result indicates a possibility of high-temperature superconductivity in the two-dimensional d-p model.
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The ground state of the two-dimensional (2D) Hubbard model is investigated by adopting improved wave functions that take into account intersite electron correlation beyond the Gutzwiller ansatz. The ground-state energy is lowered considerably, giving the best estimate of the ground-state energy for the 2D Hubbard model. There is a crossover from weakly to strongly correlated regions as the on-site Coulomb interaction UUU increases. The antiferromagnetic correlation induced by UUU is reduced for hole doping when UUU is large, being greater than the bandwidth, thus increasing the kinetic energy gain. The spin and charge fluctuations are induced in the strongly correlated region. These antiferromagnetic and kinetic charge fluctuations induce electron pairings, which would result in high-temperature superconductivity.
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.
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 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.
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.