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arXiv:1505.02290 · Physical Review X

Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms

J. P. F. LeBlanc, Andrey E. Antipov, Federico Becca, Ireneusz W. Bulik, Garnet Kin‐Lic Chan, Chia-Min Chung, Youjin Deng, Michel Ferrero, Thomas M. Henderson, Carlos A. Jiménez-Hoyos, Evgeny Kozik, Xuan-Wen Liu, Andrew J. Millis, Nikolay V. Prokof'ev, Mingpu Qin, Gustavo E. Scuseria, Hao Shi, Boris V. Svistunov, Luca F. Tocchio, I. S. Tupitsyn, Steven R. White, Shiwei Zhang, Bo-Xiao Zheng, Zhenyue Zhu, Emanuel Gull

Published Dec 14, 2015• 36 citations
arXivHTMLPDF

Abstract

Modeling systems with a large number of interacting electrons is critical to understanding the physical properties of materials and molecules of interest to chemists and physicists. Researchers model a system using a range of numerical techniques and compare results in order to find sources of uncertainty and establish benchmarks.
DOI
10.1103/physrevx.5.041041

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A two-dimensional model of interacting electrons on a lattice, the Hubbard model, has been studied by means of a numerical simulation technique. Results for the half-filled-band sector are presented for lattices of up to 6\ifmmode\times\else\texttimes\fi{}6 spatial sites, as a function of temperature and electron-electron repulsion UUU. In the ground state, the system is found to exhibit antiferromagnetic long-range order for all values of UUU, although greatly reduced from the mean-field-theory predictions.
Abstract During the last two decades, two of the most important discoveries in condensed matter physics have been the discovery of quasicrystals and the discovery of high‐Tc ceramic superconductors. These topics have generated a large number of experimental and theoretical studies in the physics of low dimension. They have also modified some of the concepts in solid state physics. For instance, it was believed that the five‐fold symmetry was incompatible with a long‐range order and it was not expected that ceramic materials with a high‐Tc and a short coherence length exhibit superconductivity. Therefore, it is important to revise both the spatial symmetry and the electronic correlation to identify how they affect the physical properties of materials. The study of these subjects is complex since we cannot use the reciprocal space to study quasicrystals and the electronic correlation in many‐body systems has not entirely been solved. Even in one‐dimensional quasiperiodic structures, the interactions between electrons have often been neglected and only few results have been obtained. In this work, we solved the cases of two and three interacting particles in a Fibonacci lattice using a real‐space method, the Green function technique, the renormalized perturbation expansion method and the Hubbard model. For the case of two interacting particles an analytical solution for the pairing phase diagram was obtained using the extended Hubbard Hamiltonian. For the case of three interacting particles the binding energy was numerically calculated. The results present here are compared with those obtained for the periodic and binary lattices. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Materials with strongly correlated electrons show a multitude of unconventional phenomena, such as superconductivity or magnetism, that cannot be explained in a single-particle picture and necessitate to take many-body effects into account. A route to explain the origin of these phenomena consists in constructing effective models for these materials that are then solved, often using numerical techniques. Paradigmatic models for two different classes of strongly correlated electron systems are investigated in this thesis: The Hubbard model is a paradigmatic model to describe the Mott metal-insulator transition (MIT) and the Kondo lattice model describes the low-energy physics in heavy fermion compounds. Both models are analyzed numerically using different variations of a quantum cluster technique, the variational cluster approximation (VCA). The first part focuses on the MIT, as it is investigated experimentally in quasi-two-dimensional charge-transfer salts. Its nature and associated universality class are still heavily discussed and both experiments and theoretical approaches come to different conclusions. In this thesis, the Mott transition is investigated on an anisotropic two-dimensional Hubbard model at half-filling. By using a control parameter, which induces this anisotropy, strong evidence for Mott quantum criticality is found in weakly coupled Hubbard chains. The results at zero temperature show that the second-order critical end point Tc of the interaction-driven metal-insulator transition can be tuned down to zero at strong anisotropy. Further results for the antiferromagnetic phase suggest a similar picture and motivate adding the anisotropy as a new axis in the phase diagram to account for a low-temperature critical end point of the Mott transition. The second part of this thesis focuses on unconventional phases that emerge in a paradigmatic model for heavy fermion systems, the Kondo lattice model. Using the VCA, the two-dimensional Kondo lattice model is investigated in the paramagnetic phase as well as in phases with broken symmetry. An antiferromagnetic phase at weak coupling and a phase with Kondo-singlet formation at strong coupling are analyzed. Within the antiferromagnetically ordered region, two phases with different Fermi-surface topology, which are separated by a discontinuous transition, are identified. The model is also tested for s-wave superconductivity as found recently using dynamical mean-field theory, but no indications for robust local pairing are seen within VCA. Instead, nodal d-wave superconductivity is found and analyzed in a large range of couplings and electron fillings, and its interplay with antiferromagnetic order at weak coupling is discussed. This motivates further studies on extended models that might allow for a close comparison with experiments on heavy fermion systems. Understanding the formation of unconventional phases in strongly correlated electron systems is not only of fundamental interest, but it is also essential for designing new functional materials. Although the results of approximate cluster techniques have to be handled with care, the new aspects presented in this thesis pave the way for further investigations in this direction.
The description of solids at a microscopic level is complex, involving the interaction of a huge number of its constituents, such as ions or electrons. It is impossible to solve the corresponding many-body problems analytically or numerically, although much insight can be gained from the analysis of simplified models. An important example is the Hubbard model, which describes interacting electrons in narrow energy bands, and which has been applied to problems as diverse as high-Tc superconductivity, band magnetism, and the metal-insulator transition. This 2005 book presents a coherent, self-contained account of the exact solution of the Hubbard model in one dimension. The early chapters will be accessible to beginning graduate students with a basic knowledge of quantum mechanics and statistical mechanics. The later chapters address more advanced topics, and are intended as a guide for researchers to some of the more topical results in the field of integrable models.