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arXiv:2104.00064 · Annual Review of Condensed Matter Physics

The Hubbard Model: A Computational Perspective

Mingpu Qin, Thomas Schäfer, Sabine Andergassen, Philippe Corboz, Emanuel Gull

Published Nov 29, 2021• 408 citations
arXivHTMLPDF

Abstract

The Hubbard model is the simplest model of interacting fermions on a lattice and is of similar importance to correlated electron physics as the Ising model is to statistical mechanics or the fruit fly to biomedical science. Despite its simplicity, the model exhibits an incredible wealth of phases, phase transitions, and exotic correlation phenomena. Although analytical methods have provided a qualitative description of the model in certain limits, numerical tools have shown impressive progress in achieving quantitative accurate results over the past several years. This article gives an introduction to the model, motivates common questions, and illustrates the progress that has been achieved over recent years in revealing various aspects of the correlation physics of the model.

DOI
10.1146/annurev-conmatphys-090921-033948

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The Hubbard model is the simplest model of interacting fermions on a lattice and is of similar importance to correlated electron physics as the Ising model is to statistical mechanics or the fruit fly to biomedical science. Despite its simplicity, the model exhibits an incredible wealth of phases, phase transitions, and exotic correlation phenomena. Although analytical methods have provided a qualitative description of the model in certain limits, numerical tools have shown impressive progress in achieving quantitative accurate results over the past several years. This article gives an introduction to the model, motivates common questions, and illustrates the progress that has been achieved over recent years in revealing various aspects of the correlation physics of the model.
The Hubbard model was originally introduced as a description of the motion of electrons in transition metals, with the motivation of understanding their magnetic properties. This original model remains a very active subject of research today, and important progress has been made in recent years by examining its properties in the limit of large spatial dimensionality. In this chapter, we shall only examine the much simpler “boson Hubbard model,” following the analysis in an important paper by Fisher, Weichman, Grinstein, and Fisher. As the name implies, the elementary degrees of freedom in this model are spinless bosons, which take the place of the spin-½ fermionic electrons in the original model. These bosons could represent Cooper pairs of electrons undergoing Josephson tunneling between super conducting islands or helium atoms moving on a substrate. Processes in which the Cooper pair boson decays into a pair of electrons are neglected in this simple model, and this caveat must be kept in mind while discussing experimental applications. Many of the results discussed in this chapter were also obtained in early literature on quantum transitions in anisotropic magnets in the presence of an applied magnetic field. These are reviewed by Kaganov and Chubukov, who also gave an extensive discussion of experimental applications. We will, however, not use their formulation here. Apart from its direct physical applications, the importance of the boson Hubbard model lies in providing one of the simplest realizations of a quantum phase transition that does not map onto a previously studied classical phase transition in one higher dimension.
The repulsive Hubbard model has been immensely useful in understanding strongly correlated electron systems, and serves as the paradigmatic model of the field. Despite its simplicity, it exhibits a strikingly rich phenomenology which is reminiscent of that observed in quantum materials. Nevertheless, much of its phase diagram remains controversial. Here, we review a subset of what is known about the Hubbard model, based on exact results or controlled approximate solutions in various limits, for which there is a suitable small parameter. Our primary focus is on the ground state properties of the system on various lattices in two spatial dimensions, although both lower and higher dimensions are discussed as well. Finally, we highlight some of the important outstanding open questions.
The repulsive Hubbard model has been immensely useful in understanding strongly correlated electron systems and serves as the paradigmatic model of the field. Despite its simplicity, it exhibits a strikingly rich phenomenology reminiscent of that observed in quantum materials. Nevertheless, much of its phase diagram remains controversial. Here, we review a subset of what is known about the Hubbard model based on exact results or controlled approximate solutions in various limits, for which there is a suitable small parameter. Our primary focus is on the ground state properties of the system on various lattices in two spatial dimensions, although both lower and higher dimensions are discussed as well. Finally, we highlight some of the important outstanding open questions.
Electron correlation plays an important role in determining the properties of physical systems, from atoms and molecules to condensed phases. Recent theoretical progress in the field has proven possible using both analytical methods and numerical many-body treatments, for realistic systems as well as for simplified models. Within the models, one may mention the jellium and the Hubbard. The jellium model, while providing a simple, rough approximation to conduction electrons in metals, also constitutes a key ingredient in the treatment of electrons in condensed phases within density-functional formalism. The Hubbard- and the related Heisenberg-model Hamiltonians, on the other hand, are designed to treat situations in which very strong correlations tend to bring about site localization of electrons. The character of the interactions in these lattice models allows for a local treatment of correlations. This is achieved by the use of projection techniques that were first proposed by Gutzwiller for the multicenter problem, being the natural extension of the Coulson-Fischer treatment of the H2{\mathrm{H}}_{2}H2​ molecule. Much work in this area is analytic or semianalytic and requires approximations. However, a full many-body treatment of both realistic and simplified models is possible by resorting to numerical simulations, i.e., to the so-called quantum Monte Carlo method. This method, which can be implemented in a number of ways, has been applied to atoms, molecules, and solids. In spite of continuing progress, technical problems still remain. Thus one may mention the fermion sign problem and the increase in computational time with the nuclear charge in atomic and related situations. Still, this method provides, to date, one of the most accurate ways to calculate correlation energies, both in atomic and in multicenter problems.
Electron correlation plays an important role in determining the properties of physical systems, from atoms and molecules to condensed phases. Recent theoretical progress in the field has proven possible using both analytical methods and numerical many-body treatments, for realistic systems as well as for simplified models. Within the models, one may mention the jellium and the Hubbard. The jellium model, while providing a simple, rough approximation to conduction electrons in metals, also constitutes a key ingredient in the treatment of electrons in condensed phases within density-functional formalism. The Hubbard- and the related Heisenberg-model Hamiltonians, on the other hand, are designed to treat situations in which very strong correlations tend to bring about site localization of electrons. The character of the interactions in these lattice models allows for a local treatment of correlations. This is achieved by the use of projection techniques that were first proposed by Gutzwiller for the multicenter problem, being the natural extension of the Coulson-Fischer treatment of the H2{\mathrm{H}}_{2}H2​ molecule. Much work in this area is analytic or semianalytic and requires approximations. However, a full many-body treatment of both realistic and simplified models is possible by resorting to numerical simulations, i.e., to the so-called quantum Monte Carlo method. This method, which can be implemented in a number of ways, has been applied to atoms, molecules, and solids. In spite of continuing progress, technical problems still remain. Thus one may mention the fermion sign problem and the increase in computational time with the nuclear charge in atomic and related situations. Still, this method provides, to date, one of the most accurate ways to calculate correlation energies, both in atomic and in multicenter problems.
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 parts: which describes quantum mechanical hopping of electrons, and which describes non-linear repulsive interaction. Either or alone is easy to analyse, and does not favour any specific order. But their sum is believed to exhibit various non-trivial 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 relating to the Hubbard model which shed light on the `physics' of this fascinating model. We mainly concentrate on the magnetic properties of the model in its ground states. We discuss the Lieb-Mattis theorem on the absence of ferromagnetism in one dimension, Koma-Tasaki bounds on the decay of correlations at finite temperatures in two dimensions, the Yamanaka-Oshikawa-Affleck theorem on low-lying excitations in one dimension, Lieb's important theorem for the 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 non-experts by giving basic definitions and describing elementary materials in detail.