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arXiv:cond-mat/9912114 · Physical review. B, Condensed matter

Pairing correlations in the attractive Hubbard model on chains, ladders, and squares

M. Guerrero, Gerardo Ortíz, James E. Gubernatis

Published Jul 1, 2000• 22 citations
arXivHTMLPDF

Abstract

We report the results of zero-temperature quantum Monte Carlo simulations and zero-temperature mean-field calculations of the attractive Hubbard model on chains, ladders, and square lattices. We investigated the predictability of the BCS approximation, the dimensional crossover of the pairing correlation function from one to two dimensions as a function of the ladder width, and the scaling of these correlations to the thermodynamic limit of the two-dimensional model. We found that the BCS wave function is quantitatively correct only for small values of $U/t.$ For the system sizes, electron fillings, and interaction strengths studied, we never saw the dimensional crossover. In general, our ability to achieve the dimensional crossover and accurate scaling to the thermodynamic limit was limited by the size of the systems we could simulate. For these sizes, although we saw the necessary signature of off-diagonal long-range order, the properties of the model did not vary monotonically with increasing system size because of shell effects. We contrast this situation with the dimensional crossover and scaling to the thermodynamic limit of the Ising model.

DOI
10.1103/physrevb.62.600

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We report the results of zero-temperature quantum Monte Carlo simulations and zero-temperature mean-field calculations of the attractive Hubbard model on chains, ladders, and square lattices. We investigated the predictability of the BCS approximation, the dimensional crossover of the pairing correlation function from one to two dimensions as a function of the ladder width, and the scaling of these correlations to the thermodynamic limit of the two-dimensional model. We found that the BCS wave function is quantitatively correct only for small values of U/t.U/t.U/t. For the system sizes, electron fillings, and interaction strengths studied, we never saw the dimensional crossover. In general, our ability to achieve the dimensional crossover and accurate scaling to the thermodynamic limit was limited by the size of the systems we could simulate. For these sizes, although we saw the necessary signature of off-diagonal long-range order, the properties of the model did not vary monotonically with increasing system size because of shell effects. We contrast this situation with the dimensional crossover and scaling to the thermodynamic limit of the Ising model.
We have studied the two-dimensional Hubbard model on a square lattice with nearest-neighbor hopping. We first discuss the properties of the model within the mean-field approximation: Because of the form of the band structure, some peculiar features are found. We then discuss the simulation algorithm used and compare simulation results with exact results for 6-site chains to test the reliability of the approach. We present results for thermodynamic properties and correlation functions for lattices up to 8\ifmmode\times\else\texttimes\fi{}8 in spatial size. The system is found to be an antiferromagnetic insulator for all values of the coupling constant at zero temperature in the half-filled-band case, but the long-range order is much smaller than predicted by mean-field theory. We perform a finite-size-scaling analysis to determine the character of the transition at zero coupling. For non-half-filled-band cases, our results suggest that the system is always paramagnetic, in contradiction with Hartree-Fock predictions. The system does not show tendency to ferromagnetism nor triplet superconductivity in the parameter range studied. We also discuss some properties of the attractive Hubbard model in the half-filled-band case.
The Hubbard model has been widely used to describe magnetism due to itinerant electrons. However, except for the one-dimensional case, no exact solution of the model exists. We have studied the two-dimensional Hubbard model on a square lattice using a Monte Carlo simulation technique. Simulations were performed on lattices of up to 8×8 in spatial size. We will discuss results for thermodynamic properties and correlation functions as a function of temperature and interaction strength. For the half-filled band case, our results indicate that the system exhibits long-range antiferromagnetic order in the ground state for any nonzero interaction, although substantially reduced from the classical Néel state due to both charge and spin fluctuations. For the non-half-filled band case, our results suggest that no long-range magnetic order exists. We also don’t find any indication of short-ranged ferromagnetic correlations in the parameter range studied. We have also studied the predictions of various approximate treatments for this model, particularly the static approximation and the coherent potential approximation (CPA). By comparison with the Monte Carlo results, we discuss the validity of these schemes. Finally, we discuss the effect of changing the band structure on the magnetic properties of the system.
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We extend previous studies of the (BCS) canonical approach for the attractive Hubbard model. A derivation of the BCS formulation is presented for both the Hubbard model and a simpler reduced Hamiltonian. Using direct diagonalization, exact one- and two-dimensional solutions for both Hamiltonians are compared to BCS variational calculations. Approximate and exact ground state energies and energy gaps are computed for different electron number systems as well as correlation observables not previously predicted. Reproducing published one-dimensional findings, the BCS approach is an excellent approximation for the Hubbard ground state energy but not the energy gap, a finding that remains true in two dimensions. Propagators and correlators are found more sensitive to wave functions and appreciable differences are computed with the Hubbard model exhibiting a weaker degree of superconductivity than the BCS. Even for weak coupling pronounced differences are found between the BCS and Hubbard on-site correlators. Significantly, in the extreme strong coupling limit the Hubbard model exhibits no dimensional crossover, or density induced transitions, to long-range order in two dimensions. However, for the reduced Hamiltonian the BCS approach is an excellent approximation for all observables in both one and two dimensions.
Recent experiments with ultracold fermionic atoms in optical lattices have provided a tuneable and clean realization of the attractive Hubbard model (AHM). In view of this, several physical properties may be thoroughly studied across the crossover between weak [Bardeen-Cooper-Schrieffer, (BCS)] and strong [Bose-Einstein condensation (BEC)] couplings. Here we report on extensive determinant Quantum Monte Carlo (DQMC) studies of the AHM on a square lattice from which several different quantities have been calculated and should be useful as a road map to experiments. We have obtained a detailed phase diagram for the critical superconducting temperature Tc{T}_{c}Tc​ in terms of the band filling $\ensuremath{\langle}n\ensuremath{\rangle}$ and interaction strength UUU from which we pinpoint a somewhat wide region $|U|/t\ensuremath{\approx}5\ifmmode\pm\else\textpm\fi{}1$ (ttt is the hopping amplitude) and $\ensuremath{\langle}n\ensuremath{\rangle}\ensuremath{\approx}0.79\ifmmode\pm\else\textpm\fi{}0.09$ leading to a maximum ${T}_{c}\ensuremath{\approx}0.16t$. Two additional temperature scales, namely, pairing Tp{T}_{p}Tp​ and degeneracy Td{T}_{d}Td​ have been highlighted: The former sets the scale for pair formation (believed to be closely related to the scale for the gap of spin excitations in cuprates), whereas the latter sets the scale for dominant quantum effects. Our DQMC data for the distribution of doubly occupied sites for the momentum distribution function, and for the quasiparticle weight show distinctive features on both sides of the BCS-BEC crossover, being also suggestive of an underlying crossover between Fermi- and non-Fermi liquid behaviors.
One- and two-dimensional attractive Hubbard models in the presence of magnetic field h are studied in a wide range of on-site interaction strength U, temperature T and electron concentration n by means of the generalized self-consistent field (GSCF) approach with renormalized chemical potential. Pairing, the smooth crossover from the BCS regime into the Bose condensation state and the inhomogeneous superconductivity with the non-uniform order parameter are investigated. The excitation spectrum, the momentum distribution function and thermodynamic properties, including the concentration of double occupied sites, the kinetic energy, and the chemical potential, are calculated. The numerical calculations are found in a good agreement with the Bethe-ansatz results and quantum Monte-Carlo calculations in a wide range of system parameters U, n and h. The GSCF theory correctly displays the separation of the energy gap from the order parameter (crossover) as n or |U| decrease. The concentration of double occupied sites and the bound electron pairs n pair are calculated and we found a simple relationship between the order parameter and n pair , valid for the arbitrary U and all n in any dimension. The developed GSCF approach in magnetic field suggests a smooth transition into the inhomogeneous superconducting state.