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International Journal of Modern Physics C

Finite Size Scaling in the tt'-Hubbard Model and in BCS-Reduced Hubbard Models

Werner Fettes, I. Morgenstern

Published Oct 1, 1998• 4 citations
Publisher

Abstract

With the projector quantum Monte Carlo algorithm and the stochastic diagonalization it is possible to calculate the ground state of the Hubbard model for small finite clusters. Nevertheless the usual finite size scaling of the Hubbard model has problems of deducing the behavior of the infinite system correctly from the numerical data of small system sizes. Therefore we study the finite size scaling of the superconducting correlation functions in superconducting BCS-reduced Hubbard models to analyze the finite size behavior in small finite clusters. The ground state of the BCS-reduced Hubbard models is calculated with the stochastic diagonalization without any approximations. As result of these analyses we propose a new finite size scaling ansatz for the Hubbard model, which is able describe the finite size effects in a consistent way taking the corrections to scaling into account, which are dominant for weak interaction strength and small clusters. With this new finite size scaling ansatz it is possible to give evidence for superconductivity for all interaction strengths for both the attractive tt'-Hubbard model (with s-wave symmetry) and the repulsive tt'-Hubbard model (with dx2-y2-wave symmetry).

DOI
10.1142/s0129183198000911

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With the projector quantum Monte Carlo algorithm and the stochastic diagonalization it is possible to calculate the ground state of the Hubbard model for small finite clusters. Nevertheless the usual finite size scaling of the Hubbard model has problems of deducing the behavior of the infinite system correctly from the numerical data of small system sizes. Therefore we study the finite size scaling of the superconducting correlation functions in superconducting BCS-reduced Hubbard models to analyze the finite size behavior in small finite clusters. The ground state of the BCS-reduced Hubbard models is calculated with the stochastic diagonalization without any approximations. As result of these analyses we propose a new finite size scaling ansatz for the Hubbard model, which is able describe the finite size effects in a consistent way taking the corrections to scaling into account, which are dominant for weak interaction strength and small clusters. With this new finite size scaling ansatz it is possible to give evidence for superconductivity for all interaction strengths for both the attractive tt'-Hubbard model (with s-wave symmetry) and the repulsive tt'-Hubbard model (with dx2-y2-wave symmetry).
The two-dimensional Hubbard model is studied for small values of the interaction strength (UUU of the order of the hopping amplitude ttt), using a variational ansatz well suited for this regime. The wave function, a refined Gutzwiller ansatz, has a BCS mean-field state with ddd-wave symmetry as its reference state. Superconducting order is found for densities n<1n<1n<1 (but not for n=1n=1n=1). This resolves a discrepancy between results obtained with the functional renormalization group, which do predict superconducting order for small values of UUU, and numerical simulations, which did not find superconductivity for $U\ensuremath{\lesssim}4t$. Both the gap parameter and the order parameter have a domelike shape as a function of nnn with a maximum for $n\ensuremath{\approx}0.8$. Expectation values for the energy, the particle number, and the superconducting order parameter are calculated using a linked-cluster expansion up to second order in UUU. In this way large systems (millions of sites) can be readily treated and well converged results are obtained. A big size is indeed required to see that the gap becomes very small at half filling and probably tends to zero in the thermodynamic limit, whereas away from half filling a finite asymptotic limit is reached. For a lattice of a given size the order parameter becomes finite only above a minimal coupling strength Uc{U}_{c}Uc​. This threshold value decreases steadily with increasing system size, which indicates that superconductivity exists for arbitrarily small UUU for an infinite system. For moderately large systems the size dependence is quite irregular, due to variations in level spacings at the Fermi energy. The fluctuations die out if the gap parameter spans several level spacings.
In this paper we compare numerical results for the ground state of the Hubbard model obtained by Quantum-Monte-Carlo simulations with results from exact and stochastic diagonalizations. We find good agreement for the ground state energy and superconducting correlations for both, the repulsive and attractive Hubbard model. Special emphasis lies on the superconducting correlations in the repulsive Hubbard model, where the small magnitude of the values obtained by Monte-Carlo simulations gives rise to the question, whether these results might be caused by fluctuations or systematic errors of the method. Although we notice that the Quantum-Monte-Carlo method has convergence problems for large interactions, coinciding with a minus sign problem, we confirm the results of the diagonalization techniques for small and moderate interaction strengths. Additionally we investigate the numerical stability and the convergence of the Quantum-Monte-Carlo method in the attractive case, to study the influence of the minus sign problem on convergence. Also here in the absence of a minus sign problem we encounter convergence problems for strong interactions.
We present exact and stochastic diagonalization results for a BCS-reduced Hubbard model. The kinetic Hamiltonian is the same as in the single band Hubbard model with additional next nearest neighbor hopping. The interaction of this model is designed to inhibit superconductivity in the d x2-y2 channel. The ground state of this model is studied by exact and stochastic diagonalization technique. We present a review of the technical details of the application of the stochastic diagonalization algorithm on this problem. To verify our results obtained with the stochastic diagonalization, they are compared with the exact diagonalization results. In order to show the convergence of the stochastic diagonalization we give a detailed analysis of the behavior of physical properties with increasing number of states. Finally we study superconductivity in this BCS-reduced Hubbard model. As an indicator of superconductivity we use the occurrence of Off Diagonal Long Range Order. We study the scaling behavior of this model for various attractive interactions and in addition the dependence of the superconducting correlation functions from the filling of the system.
The cluster size dependence of superconductivity in the conventional two-dimensional Hubbard model, commonly believed to describe high-temperature superconductors, is systematically studied using the dynamical cluster approximation and quantum Monte Carlo simulations as a cluster solver. Because of the nonlocality of the d-wave superconducting order parameter, the results on small clusters show large size and geometry effects. In large enough clusters, the results are independent of the cluster size and display a finite temperature instability to d-wave superconductivity.
We have considered the half-filled disordered attractive Hubbard model on a square lattice, in which the on-site attraction is switched off on a fraction fff of sites, while keeping a finite UUU on the remaining ones. Through quantum Monte Carlo simulations for several values of fff and UUU and for system sizes ranging from $8\ifmmode\times\else\texttimes\fi{}8$ to $16\ifmmode\times\else\texttimes\fi{}16$, we have calculated the configurational averages of the equal-time pair structure factor Ps{P}_{s}Ps​ and, for a more restricted set of variables, the helicity modulus ${\ensuremath{\rho}}_{s}$, as functions of temperature. Two finite-size scaling Ans\"atze for Ps{P}_{s}Ps​ have been used: one for zero temperature and the other for finite temperatures. We have found that the system sustains superconductivity in the ground state up to a critical impurity concentration fc{f}_{c}fc​, which increases with UUU, at least up to U=4U=4U=4 (in units of the hopping energy). Also, the normalized zero-temperature gap as a function of fff shows a maximum near $f\ensuremath{\sim}0.07$ for $2\ensuremath{\lesssim}U\ensuremath{\lesssim}6$. Analyses of the helicity modulus and of the pair structure factor led to the determination of the critical temperature as a function of fff for U=3U=3U=3, 4, and 6: they also show maxima near $f\ensuremath{\sim}0.07$, with the highest Tc{T}_{c}Tc​ increasing with UUU in this range. We argue that, overall, the observed behavior results from both the breakdown of charge-density-wave-superconductivity degeneracy and the fact that free sites tend to ``push'' electrons toward attractive sites; the latter effect being more drastic at weak couplings.
In order to develop our theoretical understanding of the superconducting state of strongly correlated electron systems, we investigate the many-body ground state of the attractive Hubbard model in infinite dimensions using the Gutzwiller-type projected BCS variational (GBCS) wave function. We first calculate various physical quantities by numerically evaluating analytical equations for systems in the thermodynamic limit. We then show that the GBCS wave function has the lowest energy when the gap parameter has a mixture of s wave and extended s wave pairing symmetry and that the ground state energy of the GBCS is lower than that of either the BCS or Fermi liquid at any electron density and any strength of the attractive interactions in our model. We also show that with infinite strength interactions, each pair of electrons with opposite spins forms a tightly bound pair on a lattice site (BEC-like state). We find a smooth crossover from a BCS-like state with large, overlapping Cooper pairs (for weakly attractive interactions) to a BEC-like state of composite bosons formed out of the tightly bound pairs of fermions (for strongly attractive interactions).