Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical review. B, Condensed matter

Simulations of the three-dimensional Hubbard model: Half-filled band sector

J. E. Hirsch

Published Feb 1, 1987• 93 citations
Publisher

Abstract

We present results of Monte Carlo simulations of the three-dimensional half-filled Hubbard model on simple-cubic ${4}^{3}$ lattices and some ${6}^{3}$ lattices with periodic boundary conditions, as well as of small clusters embedded in an effective medium. Magnetic properties were studied for values of the Hubbard repulsion U ranging from 0 to the bandwidth W=12t (t is the hopping matrix element). Our results show that antiferromagnetism is enhanced up to U\ensuremath{\sim}(5/6)W and then suppressed. The q=0 magnetic susceptibility is enhanced by U, although much less than predicted by the random-phase approximation. The transition temperature to an antiferromagnetic state is found to have a broad maximum around U\ensuremath{\sim}(5/6)W, with a maximum value of approximately W/18. The implications of our results for superconductivity in the attractive Hubbard model are also discussed.

DOI
10.1103/physrevb.35.1851

Related papers

Magnetic phase diagram of the half-filled three-dimensional Hubbard model

Kok-Kwei Pan, Yung‐Li Wang

Magnetic properties of the half-filled Hubbard model on three-dimensional bipartite lattices have been studied by using the linked-cluster series expansion method. The series for the free energy and the staggered susceptibility have been calculated as a function of \ensuremath{\mathrm{B}}t for three-dimensional bipartite lattices for an arbitrary value of the Coulomb interaction U. We obtain a transition from a paramagnetic to an antiferromagnetic U/t-${\mathrm{T}}_{\mathrm{N}}$ /t phase diagram from the divergence of the staggered susceptibility series. Comparisons with Monte Carlo simulation, Onsager reaction field result of an effective spin Hamiltonian, and large-U Heisenberg high-temperature solutions are made.

Physical review. B, Condensed matter•Feb 1, 1997•5 citations

Monte Carlo Study of the Two-Dimensional Hubbard Model

J. E. Hirsch

A two-dimensional model of interacting electrons on a lattice, the Hubbard model, has been studied by means of a numerical simulation technique. Results for the half-filled-band sector are presented for lattices of up to 6\ifmmode\times\else\texttimes\fi{}6 spatial sites, as a function of temperature and electron-electron repulsion $U$. In the ground state, the system is found to exhibit antiferromagnetic long-range order for all values of $U$, although greatly reduced from the mean-field-theory predictions.

Physical Review Letters•Nov 14, 1983•77 citations

Two-dimensional Hubbard model: Numerical simulation study

J. E. Hirsch

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.

Physical review. B, Condensed matter•Apr 1, 1985•1,082 citations

Magnetism in the two-dimensional Hubbard model (abstract)

J. E. Hirsch, Hsueh‐Ju Lin

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.

Journal of Applied Physics•Apr 15, 1985•0 citations

Two-dimensional Hubbard model with nearest- and next-nearest-neighbor hopping

H. Q. Lin, J. E. Hirsch

We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (${t}_{2}$) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if ${t}_{2}$\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.

Physical review. B, Condensed matter•Mar 1, 1987•185 citations

Charge Susceptibility of the Two-Dimensional Hubbard Model near the Half-Filled Band -A Monte Carlo Study-

Hiromi Otsuka

Using the quantum Monte Carlo simulation technique for the lattice fermion systems, we study the charge susceptibility of the two-dimensional Hubbard near the half-filled band. Lattice sizes up to 6×6 and inverse temperatures up to 6 t ( t : hopping parameter) are studied. We find that the behavior of the charge susceptibility is strongly dependent on the electron concentration at low temperature: the charge susceptibility is suppressed at the half-filled band, while it is considerably enhanced in non-half-filled band cases by the electron correlation. The above behavior of the charge susceptibility is quite similar to the recent Bethe-Ansatz result for the one-dimensional Hubbard model.

Journal of the Physical Society of Japan•Aug 15, 1990•10 citations
We present results of Monte Carlo simulations of the three-dimensional half-filled Hubbard model on simple-cubic 43{4}^{3}43 lattices and some 63{6}^{3}63 lattices with periodic boundary conditions, as well as of small clusters embedded in an effective medium. Magnetic properties were studied for values of the Hubbard repulsion U ranging from 0 to the bandwidth W=12t (t is the hopping matrix element). Our results show that antiferromagnetism is enhanced up to U\ensuremath{\sim}(5/6)W and then suppressed. The q=0 magnetic susceptibility is enhanced by U, although much less than predicted by the random-phase approximation. The transition temperature to an antiferromagnetic state is found to have a broad maximum around U\ensuremath{\sim}(5/6)W, with a maximum value of approximately W/18. The implications of our results for superconductivity in the attractive Hubbard model are also discussed.
Magnetic properties of the half-filled Hubbard model on three-dimensional bipartite lattices have been studied by using the linked-cluster series expansion method. The series for the free energy and the staggered susceptibility have been calculated as a function of \ensuremath{\mathrm{B}}t for three-dimensional bipartite lattices for an arbitrary value of the Coulomb interaction U. We obtain a transition from a paramagnetic to an antiferromagnetic U/t-TN{\mathrm{T}}_{\mathrm{N}}TN​ /t phase diagram from the divergence of the staggered susceptibility series. Comparisons with Monte Carlo simulation, Onsager reaction field result of an effective spin Hamiltonian, and large-U Heisenberg high-temperature solutions are made.
A two-dimensional model of interacting electrons on a lattice, the Hubbard model, has been studied by means of a numerical simulation technique. Results for the half-filled-band sector are presented for lattices of up to 6\ifmmode\times\else\texttimes\fi{}6 spatial sites, as a function of temperature and electron-electron repulsion UUU. In the ground state, the system is found to exhibit antiferromagnetic long-range order for all values of UUU, although greatly reduced from the mean-field-theory predictions.
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.
We study the magnetic properties of the two-dimensional Hubbard model with nearest-neighbor (t) and next-nearest-neighbor (t2{t}_{2}t2​) hopping and on-site repulsion U. We first calculate the mean-field phase diagram as a function of band filling and U. Because of the Van Hove singularity in the density of states, we find a ferromagnetic phase extending to zero U for certain band filling. For the half-filled band case, antiferromagnetism sets in at a finite value of U if t2{t}_{2}t2​\ensuremath{\ne}0. We study the behavior of spin-spin correlation functions for small lattices of up to N=64 atoms using Monte Carlo simulations, as well as exact diagonalization for N=4. Our results show enhanced ferromagnetic correlations in some regions, but apparently no ferromagnetic long-range order. In the half-filled case, our numerical results are consistent with a nonzero critical U. For a non-half-filled band our results suggest that there is no long-range order.
Using the quantum Monte Carlo simulation technique for the lattice fermion systems, we study the charge susceptibility of the two-dimensional Hubbard near the half-filled band. Lattice sizes up to 6×6 and inverse temperatures up to 6 t ( t : hopping parameter) are studied. We find that the behavior of the charge susceptibility is strongly dependent on the electron concentration at low temperature: the charge susceptibility is suppressed at the half-filled band, while it is considerably enhanced in non-half-filled band cases by the electron correlation. The above behavior of the charge susceptibility is quite similar to the recent Bethe-Ansatz result for the one-dimensional Hubbard model.