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Physical review. B, Solid state

Ferromagnetism in the Nearly-Half-Filled-Band Hubbard Model at Nonzero Temperatures

Jeffrey B. Sokoloff

Published Jul 1, 1971• 3 citations
Publisher

Abstract

Nagoaka's result that the ground state of the near-neighbor-hopping Hubbard model, for a nearly half-filled band and for interaction strength much greater than hopping energy, is ferromagnetic, is shown to be valid for bosons with spin, as well as fermions, in a finite system. In the thermodynamic limit, the boson system is shown to be nonmagnetic. Ferromagnetism is argued to exist at nonzero temperatures for fermions in an infinite system, and upper and approximate lower bounds are obtained for the Curie temperature.

DOI
10.1103/physrevb.4.232

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Nagoaka's result that the ground state of the near-neighbor-hopping Hubbard model, for a nearly half-filled band and for interaction strength much greater than hopping energy, is ferromagnetic, is shown to be valid for bosons with spin, as well as fermions, in a finite system. In the thermodynamic limit, the boson system is shown to be nonmagnetic. Ferromagnetism is argued to exist at nonzero temperatures for fermions in an infinite system, and upper and approximate lower bounds are obtained for the Curie temperature.
While the exact phase diagram of the Fermi-Hubbard model remains poorly understood despite decades of progress, nearly 60 years ago Nagaoka proved that a single dopant in an otherwise half-filled Hubbard system can bring about ferromagnetism through kinetic means. The phenomenon was recently observed with ultracold atoms in triangular optical lattices. Here, we explore the kinetic ferromagnetism within the square lattice Hubbard model and its strong-coupling counterpart, the $t\ensuremath{-}J$ model, at finite temperatures in the thermodynamic limit via numerical linked-cluster expansions. We find evidence of ferromagnetic Nagaoka polarons at dopings up to $\ensuremath{\sim}30%$ away from half filling for a variety of interaction strengths and at temperatures as low as 0.2 of the hopping energy. We map out the boundaries of this phase through analyzing various correlation functions.
We consider the question of ferromagnetism in the one-band Hubbard model on the square lattice with infinite on-site repulsion using exact diagonalization techniques. Our results show a nonmonotonic behavior as a function of the number of holes Nh{N}_{h}Nh​ away from half filling. We find that the spin per electron is generally finite but less than its maximum value and, for a fixed hole number, increases with increasing system size. We interpret this as indicating that the inifinite-U Hubbard model is ferromagnetic in the thermodynamic limit for a finite fraction of holes, but that there are nonferromagnetic states which are very close in energy.
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 investigate the magnetization of the ground state of the one-dimensional flat-band Hubbard model as a function of the electron filling, using exact diagonalization techniques. Our calculation shows that the systems with odd n holes added to half-filling bands for a sufficiently large U (the on-site Coulomb repulsion energy) have a saturated ferromagnetic ground state, which is nondegenerate except for the trivial spin degeneracy. Dependences of the critical value of U on the size and on λ (a parameter of the system) are also investigated. For all values of λ, it is found that the ground state is a saturated ferromagnetic state if U is sufficiently large. Moreover, we find that the critical U for the saturated ferromagnetic ground state is almost independent on the system size, at least, for the system near quarter-filling. These facts indicate that even if the system size go to infinity, the ferromagnetic ground state can be exist for a finite U .