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Physical Review Letters

Antiferromagnetism in the Two-Dimensional Hubbard Model

J. E. Hirsch, Simon Y. Tang

Published Jan 30, 1989• 225 citations
Publisher

Abstract

Magnetic properties of the two-dimensional Hubbard-model are inferred from results of Monte Carlo simulations. Lattice sizes up to 8\ifmmode\times\else\texttimes\fi{}8 and temperatures down to $T=\frac{t}{20}$ ($t=\mathrm{hopping}$) were studied. The half-filled system is found to exhibit antiferromagnetic long-range order for all values of the Coulomb repulsion $U$. The low-temperature magnetic properties are found to be well described by spin-wave theory with renormalized local moment and spin-wave velocity. Numerical evidence presented suggests that when doped the system loses the long-range order immediately away from half filling.

DOI
10.1103/physrevlett.62.591

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Magnetic properties of the two-dimensional Hubbard-model are inferred from results of Monte Carlo simulations. Lattice sizes up to 8\ifmmode\times\else\texttimes\fi{}8 and temperatures down to T=t20T=\frac{t}{20}T=20t​ (t=hoppingt=\mathrm{hopping}t=hopping) were studied. The half-filled system is found to exhibit antiferromagnetic long-range order for all values of the Coulomb repulsion UUU. The low-temperature magnetic properties are found to be well described by spin-wave theory with renormalized local moment and spin-wave velocity. Numerical evidence presented suggests that when doped the system loses the long-range order immediately away from half filling.
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.
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.
We report on a numerical study of the two-dimensional Hubbard model and describe two new algorithms for the simulation of many-electron systems. These algorithms allow one to carry out simulations within the grand canonical ensemble at significantly lower temperatures than had previously been obtained and to calculate ground-state properties with fixed numbers of electrons. We present results for the two-dimensional Hubbard model with half- and quarter-filled bands. Our results support the existence of long-range antiferromagnetic order in the ground state at half-filling and its absence at quarter-filling. Results for the magnetic susceptibility and the momentum occupation along with an upper bound to the spin-wave spectrum are given. We find evidence for an attractive effective d-wave pairing interaction near half-filling but have not found evidence for a phase transition to a superconducting state.
The two-dimensional Hubbard model in the presence of diagonal and off-diagonal disorder is studied at half-filling with a finite-temperature quantum Monte Carlo method. Magnetic correlations as well as the electronic compressibility are calculated to determine the behavior of local magnetic moments, the stability of antiferromagnetic long-range order (AFLRO), and properties of the disordered phase. The existence of random potentials (diagonal or ``site'' disorder) leads to a suppression of local magnetic moments which eventually destroys AFLRO. Randomness in the hopping elements (off-diagonal disorder), on the other hand, does not significantly reduce the density of local magnetic moments. For this type of disorder, at half-filling, there is no ``sign problem'' in the simulations as long as the hopping is restricted between neighbor sites on a bipartite lattice. This allows the study of sufficiently large lattices and low temperatures to perform a finite-size scaling analysis. For off-diagonal disorder, AFLRO is eventually destroyed when the fluctuations of antiferromagnetic exchange couplings exceed a critical value. The disordered phase close to the transition appears to be incompressible, and shows an increase of the uniform susceptibility at low temperatures.
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.