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Physical review. B, Condensed matter

Wave-function renormalization constant for the one-band Hubbard Hamiltonian in two dimensions

Enrique Louis, G. Chiappe, J. Galán, F. Guinea, José Antonio Vergés

Published Jul 1, 1993• 10 citations
Publisher

Abstract

The wave-function renormalization constant Z has been calculated for the one-band Hubbard model on a square lattice. Near half-filling the Hamiltonian has been solved on finite clusters (up to 16\ifmmode\times\else\texttimes\fi{}16) by means of the unrestricted Hartree-Fock (UHF) approximation. Some checks of the UHF results have been made on 4\ifmmode\times\else\texttimes\fi{}4 clusters by means of the Lanczos method for U=\ensuremath{\infty}. At high dilutions (two electrons) exact calculations have been carried out. The ground-state wave functions and energies for the different cases here considered are discussed. The system shows nonconventional behavior (Z=0) near half-filling. For a given value of U, Z vanishes at low dopings, and becomes finite as doping is increased. For very large U the value of Z remains finite for all dopings, excluding half-filling. These results are cast into a plausible phase diagram.

DOI
10.1103/physrevb.48.426

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The wave-function renormalization constant Z has been calculated for the one-band Hubbard model on a square lattice. Near half-filling the Hamiltonian has been solved on finite clusters (up to 16\ifmmode\times\else\texttimes\fi{}16) by means of the unrestricted Hartree-Fock (UHF) approximation. Some checks of the UHF results have been made on 4\ifmmode\times\else\texttimes\fi{}4 clusters by means of the Lanczos method for U=\ensuremath{\infty}. At high dilutions (two electrons) exact calculations have been carried out. The ground-state wave functions and energies for the different cases here considered are discussed. The system shows nonconventional behavior (Z=0) near half-filling. For a given value of U, Z vanishes at low dopings, and becomes finite as doping is increased. For very large U the value of Z remains finite for all dopings, excluding half-filling. These results are cast into a plausible phase diagram.
The wave-function renormalizaton constant Z has been calculated for the one-band Hubbard model in the square lattice. Near half-filling the Hamiltonian has been solved on finite clusters (up to 16\ifmmode\times\else\texttimes\fi{}16) by means of the unrestricted Hartree-Fock approximation, whereas at high dilutions (two electrons) exact calculations have been carried out. The region of the parameter space where the system shows nonconventional behavior (Z=0) is close to half-filling. For a given value of the Coulomb repulsion, Z vanishes at low dopings, and become finite as doping is increased. For very large U the constant Z remains finite for all dopings, excluding half-filling. These results are cast into a plausible phase diagram.
The electron self-energy Sigma(k,\ensuremath{\omega}) corresponding to the one-band Hubbard Hamiltonian on clusters of the square lattice has been obtained as a function of the band filling up to second order in the interaction parameter U. The k dependence of the self-energy is completely taken into account. As a consequence, the imaginary part of the self-energy shows a linear behavior for fillings close to one electron per site whereas for large doping rates the quadratic \ensuremath{\omega} dependence characterizing Fermi liquids is recovered. The origin of this behavior has been investigated analytically: linear terms associated with nesting are shown to exist in any finite-dimensional lattice although its numerical relevance decreases very rapidly for space dimensionality larger than two. Implications of these results on the renormalization factor Z have been analyzed. From a practical point of view, we conclude that a standard second-order perturbative treatment is quantitatively precise for U values of the on-site Coulomb interaction smaller than the bandwidth of the noninteracting spectrum.
In this paper, we study phase separation in the two-dimensional single-band Hubbard model with the unrestricted Hartree-Fock(UHF) method and the restricted Hartree-Fock (RHF) method. We perform the calculation for square lattices and rectangle lattices. It is observed that the stripe phase exists and it depends on three aspects: geometry of the lattice, Coulomb interaction U and band filling n. To gain more physical insights, we consider the Hubbard model with spin dependent hoppings: t↑ and t↓, and study the effect of varying [Formula: see text] on the phase separation.
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 ground-state wave function and energy are calculated for the one-band Hubbard Hamiltonian on a 4\ifmmode\times\else\texttimes\fi{}4 cluster of the square lattice up to first and second order of the on-site Coulomb repulsion U, respectively. Changes induced by a deviation of the number of electrons from half-filling (one electron per lattice site) are closely followed. Charge-charge and spin-spin correlation functions are directly obtained from the ground-state wave function and show the existence of antiferromagnetic correlations that extend over the whole cluster at half-filling. Correlations among sites separated by more than a lattice site diminish very rapidly as holes are introduced into the cluster. The analysis is extended to the negative-U case. Ground-state properties change qualitatively.
We present results for the equation of state of the two-dimensional Hubbard model on an isotropic square lattice as obtained from a controlled and numerically exact large-cluster dynamical mean field simulation. Our results are obtained for large but finite systems and are extrapolated to infinite system size using a known finite-size scaling relation, and are supplemented by reliable error bars accounting for all sources of errors. We establish the importance of examining the decay of spatial spin correlations to determine whether a sufficiently large cluster has been used and with this in mind we present the energy, entropy, double occupancy, and nearest-neighbor spin correlations extrapolated to the thermodynamic limit. We discuss the implications of these calculations on pseudogap physics of the 2D Hubbard model away from half filling, where we find a strong behavioral shift in energy below a temperature T∗{T}^{*}T∗ which becomes more pronounced for larger clusters. Finally, we provide reference calculations and tables for the equation of state for values of doping away from half filling which are of interest to cold-atom experiments.