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Communications in Theoretical Physics

Nagaoka Ferromagnetism in Two-Band Hubbard Model

Deping Zhang, Guang-Shan Tian, Hai‐Qing Lin

Published Feb 1, 2015• 1 citation
Publisher

Abstract

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.

DOI
10.1088/0253-6102/63/2/21

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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.
It is believed that strong ferromagnetic interactions in some solids are generated by subtle interplay between quantum many-body effects and spin-independent Coulomb interactions between electrons. It is a challenging problem to verify this scenario in the Hubbard model, which is an idealized model for strongly interacting electrons in a solid. Nagaoka's ferromagnetism is a well-known rigorous example of ferromagnetism in the Hubbard model. It deals with the limiting situation in which there is one fewer electron than in the half-filling and the on-site Coulomb interaction is infinitely large. There are relatively new rigorous examples of ferromagnetism in Hubbard models called flat-band ferromagnetism. Flat-band ferromagnetism takes place in carefully prepared models in which the lowest bands (in the single-electron spectra) are “flat.” Usually, these two approaches are regarded as two complimentary routes to ferromagnetism in the Hubbard model. In the present paper we describe Nagaoka's ferromagnetism and flat-band ferromagnetism in detail, giving all the necessary background as well as complete (but elementary) mathematical proofs. By studying an intermediate model called the long-range hopping model, we also demonstrate that there is indeed a deep relation between these two seemingly different approaches to ferromagnetism. We further discuss some attempts to go beyond these approaches. We briefly discuss recent rigorous example of ferromagnetism in the Hubbard model which has neither infinitely large parameters nor completely flat bands. We give preliminary discussion regarding possible experimental realizations of the (nearly-)flat-band ferromagnetism. Finally, we focus on some theoretical attempts to understand metallic ferromagnetism. We discuss three artificial one-dimensional models in which the existence of metallic ferromagnetism can be easily proved. We have tried to make the present paper as self-contained as possible, keeping in mind readers who are new to the field. Although the present paper is written as a review, it contains some material which appears for the first time.
Role of the double exchange for appearance of partial ferromagnetism in a semimetal is explored for a semimetallic two-band Hubbard model in one-dimension. In a strong coupling limit, a ferromagnetic exchange interaction between two neighboring triplet excitons becomes dominant compared with anti-ferromagnetic couplings and a partial spin polarization is shown to appear. Exact evaluation of magnetization is possible for the partially ferromagnetic ground state in this limit. Obtained phase diagram has a doping dependence similar to our DMRG results for finite interactions. The ferromagnetism is favored in semimetallic systems by the interplay of the intra-orbital Coulomb repulsion and the inter-orbital Hund-rule coupling.
Ferromagnetic domains in the large-UUU Hubbard model with a few holes: an FCIQMC study
Two-dimensional Hubbard lattices with two or three holes are investigated as a function of UUU in the large-UUU limit. In the so-called Nagaoka limit (one-hole system at infinite UUU), it is known that the Hubbard model exhibits a ferromagnetic ground-state. Here, by means of exact FCIQMC simulations applied to periodic lattices up to 24 sites, we compute spin-spin correlation functions as a function of increasing UUU. The correlation functions clearly demonstrate the onset of ferromagnetic domains, centred on individual holes. The overall total spin of the wavefunctions remain the lowest possible (0, or 12\frac{1}{2}21​, depending on the number of holes). The ferromagnetic domains appear at interaction strengths comparable to the critical interaction strengths of the Nagaoka transition in finite systems with strictly one hole. The existence of such ferromagnetic domains is the signature of Nagaoka physics in Hubbard systems with a small (but greater than one) number of holes.
We study the Hubbard model on three coupled chains which has the saturated ferromagnetic ground states in a finite range of the electron filling factor . In the case that both the single-electron band gap between the highest and lower two bands and the on-site Coulomb interaction are infinitely large, we will rigorously show that the present model exhibits ferromagnetism for 0 < <(1/3), where 0 0 (1/6) depending on the band structure. We will also give numerical results, which indicate that, even in the case that the band gap and the Coulomb interaction are not so large, the present ferromagnetism will survive for suitable electron filling factors.
We consider the Hubbard model on a finite set of sites with nonpositive hopping matrix elements and infinitely strong on-site repulsion. Nagaoka's theorem states that in this model the relative ground state in the sector with one unoccupied site is maximally ferromagnetic. We show that this phenomenon is a consequence of a combinatorial coincidence valid in the one-hole regime only. In the case of more than one hole there is no reason to expect maximally ferromagnetic ground states. We prove this claim for the case of two holes for models defined on a class of graphs which contains all tori that are not too small.