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Communications in Theoretical Physics

Two Theorems on the Hubbard-Hirsch Model

Wang Zhijun, Qiu Xiaoming

Published Jul 30, 1997• 9 citations
Publisher

Abstract

In this paper, the two theorems on the Hubbard–Hirsch model are shown rigorously. For positive on-site interaction , the model on some bipartite lattices has a weak ferromagnetic ground state at half filling. For negative , the ground state of the model on some bipartite lattices possesses off-diagonal long-range order within a finite range of the electron filling factor.

DOI
10.1088/0253-6102/28/1/51

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Communications in Theoretical Physics•Jan 1, 1992•3 citations
In this paper, the two theorems on the Hubbard–Hirsch model are shown rigorously. For positive on-site interaction , the model on some bipartite lattices has a weak ferromagnetic ground state at half filling. For negative , the ground state of the model on some bipartite lattices possesses off-diagonal long-range order within a finite range of the electron filling factor.
In this paper, we show rigorously that there exists the ferrimagnetic long-range order in the ground state of the positive-U Hubbard model at half filling on some bipartite lattices. When NA{\mathit{N}}_{\mathit{A}}NA​>NB{\mathit{N}}_{\mathit{B}}NB​(NA{\mathit{N}}_{\mathit{A}}NA​ and NB{\mathit{N}}_{\mathit{B}}NB​ are the total site numbers of two sublattices A and B), except for the ferromagnetism which was found by Lieb [Phys. Rev. Lett. 62, 1201 (1989)], there also exists the antiferromagnetic long-range order in the ground state. This result only requires U>0 and is independent of the dimension of the lattices.
The noninteracting electronic structures of tight-binding models on bipartite lattices with unequal numbers of sites in the two sublattices have a number of unique features, including the presence of spatially localized eigenstates and flat bands. When a uniform on-site Hubbard interaction UUU is turned on, Lieb proved rigorously that at half-filling ($\ensuremath{\rho}=1$) the ground state has a nonzero spin. In this paper we consider a ``CuO2{\mathrm{CuO}}_{2}CuO2​ lattice'' (also known as ``Lieb lattice,'' or as a decorated square lattice), in which ``ddd orbitals'' occupy the vertices of the squares, while ``ppp orbitals'' lie halfway between two ddd orbitals; both ddd and ppp orbitals can accommodate only up to two electrons. We use exact determinant quantum Monte Carlo (DQMC) simulations to quantify the nature of magnetic order through the behavior of correlation functions and sublattice magnetizations in the different orbitals as a function of UUU and temperature; we have also calculated the projected density of states, and the compressibility. We study both the homogeneous (H) case, Ud=Up{U}_{d}={U}_{p}Ud​=Up​, originally considered by Lieb, and the inhomogeneous (IH) case, ${U}_{d}\ensuremath{\ne}{U}_{p}$. For the H case at half-filling, we found that the global magnetization rises sharply at weak coupling, and then stabilizes towards the strong-coupling (Heisenberg) value, as a result of the interplay between the ferromagnetism of like sites and the antiferromagnetism between unlike sites; we verified that the system is an insulator for all UUU. For the IH system at half-filling, we argue that the case ${U}_{p}\ensuremath{\ne}{U}_{d}$ falls under Lieb's theorem, provided they are positive definite, so we used DQMC to probe the cases Up=0,Ud=U{U}_{p}=0,{U}_{d}=UUp​=0,Ud​=U and Up=U,Ud=0{U}_{p}=U,{U}_{d}=0Up​=U,Ud​=0. We found that the different environments of ddd and ppp sites lead to a ferromagnetic insulator when Ud=0{U}_{d}=0Ud​=0; by contrast, Up=0{U}_{p}=0Up​=0 leads to to a metal without any magnetic ordering. In addition, we have also established that at density $\ensuremath{\rho}=1/3$, strong antiferromagnetic correlations set in, caused by the presence of one fermion on each ddd site.
In the attractive Hubbard Model (and some extended versions of it), the ground state is proved to have spin angular momentum S=0 for every (even) electron filling. In the repulsive case, and with a bipartite lattice and a half-filled band, the ground state has S=(1/2\ensuremath{\parallel}B\ensuremath{\Vert}-\ensuremath{\Vert}A\ensuremath{\Vert}\ensuremath{\Vert}, where \ensuremath{\Vert}B\ensuremath{\Vert} (\ensuremath{\Vert}A\ensuremath{\Vert}) is the number of sites in the B (A) sublattice. In both cases the ground state is unique. The second theorem confirms an old, unproved conjecture in the \ensuremath{\Vert}B\ensuremath{\Vert}=\ensuremath{\Vert}A\ensuremath{\Vert} case and yields, with \ensuremath{\Vert}B\ensuremath{\Vert}\ensuremath{\ne}\ensuremath{\Vert}A\ensuremath{\Vert}, the first provable example of itinerant-electron ferromagnetism. The theorems hold in all dimensions without even the necessity of a periodic lattice structure.
The Hubbard model is a "highly oversimplified model" for electrons in a solid which interact with each other through extremely short ranged repulsive (Coulomb) interaction. The Hamiltonian of the Hubbard model consists of two pieces; H_hop which describes quantum mechanical hopping of electrons, and Hint which describes nonlinear repulsive interaction. Either H_hop or H_int alone is easy to analyze, and does not favor any specific order. But their sum H=H_hop+H_int is believed to exhibit various nontrivial phenomena including metal-insulator transition, antiferromagnetism, ferrimagnetism, ferromagnetism, Tomonaga-Luttinger liquid, and superconductivity. It is believed that we can find various interesting "universality classes" of strongly interacting electron systems by studying the idealized Hubbard model. In the present article we review some mathematically rigorous results on the Hubbard model which shed light on "physics" of this fascinating model. We mainly concentrate on magnetic properties of the model at its ground states. We discuss Lieb-Mattis theorem on the absence of ferromagnetism in one dimension, Koma-Tasaki bounds on decay of correlations at finite temperatures in two-dimensions, Yamanaka-Oshikawa-Affleck theorem on low-lying excitations in one-dimension, Lieb's important theorem for half-filled model on a bipartite lattice, Kubo-Kishi bounds on the charge and superconducting susceptibilities of half-filled models at finite temperatures, and three rigorous examples of saturated ferromagnetism due to Nagaoka, Mielke, and Tasaki. We have tried to make the article accessible to nonexperts by describing basic definitions and elementary materials in detail.