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Physical review. B, Condensed matter

Stability of the Nagaoka state in the one-band Hubbard model

Guang-Shan Tian

Published Sep 1, 1991• 26 citations
Publisher

Abstract

We discuss the stability of the saturated ferromagnetic state of the one-band Hubbard model in the thermodynamic limit. We prove rigorously that the Nagaoka state is stable on a d-dimensional (d=2,3) simple-cubic lattice if the number of holes ${\mathit{N}}_{\mathit{h}}$ is less than ${\mathit{N}}_{\mathrm{\ensuremath{\Lambda}}}^{\mathrm{\ensuremath{\alpha}}}$, 0\ensuremath{\le}\ensuremath{\alpha}1/2d. Finally, we explain briefly why the Nagaoka state is probably unstable when ${\mathit{N}}_{\mathit{h}}$\ensuremath{\gg}${\mathit{N}}_{\mathrm{\ensuremath{\Lambda}}}^{1/2\mathit{d}}$.

DOI
10.1103/physrevb.44.4444

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We discuss the stability of the saturated ferromagnetic state of the one-band Hubbard model in the thermodynamic limit. We prove rigorously that the Nagaoka state is stable on a d-dimensional (d=2,3) simple-cubic lattice if the number of holes Nh{\mathit{N}}_{\mathit{h}}Nh​ is less than N\ensuremathΛ\ensuremathα{\mathit{N}}_{\mathrm{\ensuremath{\Lambda}}}^{\mathrm{\ensuremath{\alpha}}}N\ensuremathΛ\ensuremathα​, 0\ensuremath{\le}\ensuremath{\alpha}1/2d. Finally, we explain briefly why the Nagaoka state is probably unstable when Nh{\mathit{N}}_{\mathit{h}}Nh​\ensuremath{\gg}N\ensuremathΛ1/2d{\mathit{N}}_{\mathrm{\ensuremath{\Lambda}}}^{1/2\mathit{d}}N\ensuremathΛ1/2d​.
In this paper, we have rigorously shown that, in a thermodynamic limit, there always exists a one-spin-flipped state degenerate with the Nagaoka state in one-band Hubbard model on a two and three-dimensional simple cubic lattice when the number of holes [Formula: see text] (with 0≤α<1, N∧ and N e are the numbers of sites and electrons respectively) for all U (including U=∞). It is also shown that there does not exist a finite critical value U c for which, when U>U c , the Nagaoka state has the ground-state energy of the system for a two-dimensional square lattice when ρ→0.
We investigate the instability of the saturated ferromagnetic ground state (Nagaoka state) in the Hubbard model on various lattices in dimensions d=2d=2d=2 and d=3d=3d=3. A variational resolvent approach is developed for the Nagaoka instability both for $U=\ensuremath{\infty}$ and for $U<\ensuremath{\infty}$ which can easily be evaluated in the thermodynamic limit on all common lattices. Our results significantly improve former variational bounds for a possible Nagaoka regime in the ground-state phase diagram of the Hubbard model. We show that a pronounced particle-hole asymmetry in the density of states and a diverging density of states at the lower band edge are the most important features in order to stabilize Nagaoka ferromagnetism, particularly in the low-density limit.
The solution of a three-body Schr\"odinger equation (for two holes and a spin flip) shows that in the U=\ensuremath{\infty} Hubbard model the saturated ferromagnetic state with two holes is unstable (in a finite volume and for periodic boundary conditions). The ground state carries a finite momentum, and becomes degenerate with the Nagaoka state in the thermodynamic limit. This is in agreement with exact diagonalization results for small lattices where, in addition, we find that the true two-hole ground state is a singlet. As a result, our notions of ferromagnetism in the Hubbard model might need revision.
In the present paper, we investigate the existence of ferromagnetism in a two-band Hubbard model, by applying a recently-introduced method by us to study ferromagnetism in metallic clusters. We prove rigorously that the ground state of this model is ferromagnetic if the intra-orbital Coulomb repulsion between electrons is infinitely strong and only one hole exists in the system. Our theorem improves a previous result. Furthermore, our method can also be applied to deal with the case of multiple holes.
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.