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Scientia Plena

The two-dimensional Hubbard model in the Hartree-Fock approximation

Fernando O. Freire, Cláudio Andrade Macedo

Published Jan 1, 2008• 0 citations
OpenAlex

Abstract

The students interested in the study of strongly correlated electron systems normally feel, in the beginning  of their studies, a great difficulty in understanding the complex correlations of these systems. We consider  that for these students it is very important to have texts that analyze pedagogically the theoretical research  methods of the subject. We show how to determine the thermodynamic properties of the Hubbard model  for the two-dimensional square lattice, utilizing the Hartree-Fock approximation. All the procedures and  peculiarities which lead to the determination of the thermodynamic properties and to the comprehension  of the meaning of the Hartree-Fock approximation applied to models of strongly correlated electron  systems are pedagogically presented in detail. We obtain the magnetization, the magnetic susceptibility,  the internal energy, the specific heat, and also a magnetic phase diagram of the studied system. Our  approach clearly shows that the use of the Hartree-Fock approximation, in this case, is very simple.

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The students interested in the study of strongly correlated electron systems normally feel, in the beginning  of their studies, a great difficulty in understanding the complex correlations of these systems. We consider  that for these students it is very important to have texts that analyze pedagogically the theoretical research  methods of the subject. We show how to determine the thermodynamic properties of the Hubbard model  for the two-dimensional square lattice, utilizing the Hartree-Fock approximation. All the procedures and  peculiarities which lead to the determination of the thermodynamic properties and to the comprehension  of the meaning of the Hartree-Fock approximation applied to models of strongly correlated electron  systems are pedagogically presented in detail. We obtain the magnetization, the magnetic susceptibility,  the internal energy, the specific heat, and also a magnetic phase diagram of the studied system. Our  approach clearly shows that the use of the Hartree-Fock approximation, in this case, is very simple.
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.
In this work we obtain the magnetic and thermodynamic properties of the classical Hubbard model. This one is easier to handle than the original Hubbard model, and it maintains fundamental aspects like charge and particle-hole symmetry. We find the relationship between this and the Ising model. For square and simple cubic lattices, the thermodynamic properties and phase diagrams were calculated by Monte Carlo method. We show the behavior of internal energy, specific heat, and magnetic susceptibility as a function of the temperature. For the considered lattices, the ground state is anti-ferromagnetic. The Néel temperatures were found as a function of the electronic interaction in the case of half-filled band. In the limit of vanishing of diverging interaction, our results agree with the Ising model.
In this work we obtain the magnetic and thermodynamic properties of the classical Hubbard model. This one is easier to handle than the original Hubbard model, and it maintains fundamental aspects like charge and particle-hole symmetry. We find the relationship between this and the Ising model. For square and simple cubic lattices, the thermodynamic properties and phase diagrams were calculated by Monte Carlo method. We show the behavior of internal energy, specific heat, and magnetic susceptibility as a function of the temperature. For the considered lattices, the ground state is anti-ferromagnetic. The Néel temperatures were found as a function of the electronic interaction in the case of half-filled band. In the limit of vanishing of diverging interaction, our results agree with the Ising model.
The Hubbard model has been subject of strong interest in the condensed matter community. It is the  simplest model for strongly correlated electron systems. The text books of physics are based on  applications, under the form of problems, which have exact analytical solutions. Itinerant magnetic  system models, for that reason, are rarely considered in text books of statistical mechanics. The students  interested in the study of strongly correlated electron systems, normally, feel in the beginning of their  studies a great difficulty in understanding the complex correlations of these systems. In this work, we  have studied, with a pedagogical approach, the thermodynamic properties of the Hubbard model for a  diatomic molecule  AB, that is, we consider a case translationally non-invariant. We apply the grand  canonical ensemble method for allowing the analysis of a general situation of any average electron  number per site. In the applications we consider, in particular, the case in which the average electron  number per site is one. The analysis of the thermodynamic properties makes possible to conclude that the  diatomic molecule AB of Hubbard exhibits ferrimagnetic behavior. Moreover, the studied system presents  a conceptual and mathematical structure accessible to undergraduate students of physics in their last year,  and the results show a rich variety of physics phenomena with details that make feasible a deeper  comprehension of the quantum mechanisms involved in the thermodynamics properties and of the  methods employed to obtain such properties.
The Hubbard model in a two-dimensional square lattice is studied within the unrestricted Hartree-Fock approximation. A wide variety of solutions are found, as a function of filling and value of the Coulomb repulsion. Their properties range from those of magnetic polarons to a behavior similar to electrons in an external magnetic field (flux phases). The main features of the vortex solution are studied. It is shown that its energy increases logarithmically with system size, and that it becomes more stable for high values of the Coulomb repulsion and doping levels. Also, multivortex configurations are shown to exist. The implications of our results in the qualitative behavior of the Hubbard model as function of doping and strength of the interaction are discussed.
The applicability of the Hartree-Fock and random phase approximations to models of strongly correlated electrons is discussed. The 2D Hubbard model is analyzed. An antiferromagnetic phase (at half filling) and Fermi liquid behavior (at low electron densities) are found. In addition, the system shows an unconventional regime near half filling. It is characterized by the formation of spin and charge textures. Local magnetic moments and spin waves are also present, and the quasiparticle pole at the Fermi energy vanishes. The charge excitation spectrum is gapless. The overall features resemble those of the 1D Luttinger liquid.