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arXiv:2210.14197

Extended Dynamical Mean Field Theory for Correlated Electron Models

Haoyu Hu, Lei Chen, Qimiao Si A

Published Oct 25, 2022• 6 citations
arXivHTMLPDF

Abstract

An overarching question in strongly correlated electron systems is how the landscape of quantum phases emerges from electron correlations. The method of extended dynamical mean field theory (EDMFT) has been developed for clean lattice models of the correlated electrons. For such models, not only onsite Hubbard-like interactions are important, but so are intersite interactions. Importantly, the EDMFT method treats the interplay between the onsite and intersite interactions dynamically. It was initially formulated for models of the two-band Anderson-lattice type with intersite interactions, as well as for the one-band Hubbard type with intersite Heisenberg-like terms that are often called Hubbard-Heisenberg models. In the case of Kondo lattice models, the EDMFT method incorporates a dynamical competition between the local Kondo and intersite Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions. In these models, the EDMFT-based analyses led to the notion of Kondo destruction, which has played a central role in the understanding of quantum critical heavy fermion metals. In this article, we summarize the EDMFT method, and survey its applications, particularly for Kondo/Anderson lattice models. We also discuss the prospect for further developing the EDMFT method, as well as for applying it to address the correlation physics in a variety of new settings. Among the latter are the orbital-selective Mott physics that arises both in iron-based superconductors and in frustrated bulk systems with topological flat bands.

DOI
10.48550/arxiv.2210.14197

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An overarching question in strongly correlated electron systems is how the landscape of quantum phases emerges from electron correlations. The method of extended dynamical mean field theory (EDMFT) has been developed for clean lattice models of the correlated electrons. For such models, not only onsite Hubbard-like interactions are important, but so are intersite interactions. Importantly, the EDMFT method treats the interplay between the onsite and intersite interactions dynamically. It was initially formulated for models of the two-band Anderson-lattice type with intersite interactions, as well as for the one-band Hubbard type with intersite Heisenberg-like terms that are often called Hubbard-Heisenberg models. In the case of Kondo lattice models, the EDMFT method incorporates a dynamical competition between the local Kondo and intersite Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions. In these models, the EDMFT-based analyses led to the notion of Kondo destruction, which has played a central role in the understanding of quantum critical heavy fermion metals. In this article, we summarize the EDMFT method, and survey its applications, particularly for Kondo/Anderson lattice models. We also discuss the prospect for further developing the EDMFT method, as well as for applying it to address the correlation physics in a variety of new settings. Among the latter are the orbital-selective Mott physics that arises both in iron-based superconductors and in frustrated bulk systems with topological flat bands.
Metallic quantum criticality often develops in strongly correlated systems with local effective degrees of freedom. In this work, we consider an Anderson lattice model with SU(2) symmetry. The model is treated by the extended dynamical mean-field theory (EDMFT) in combination with a continuous-time quantum Monte Carlo method. We demonstrate a continuous quantum phase transition, establish the ensuing quantum critical point to be of a Kondo-destruction type, and determine the anomalous scaling properties. We connect the continuous nature of the transition to a dynamical Kondo effect, which we characterize in terms of a local entanglement entropy and related properties. This effect elucidates the unusual behavior of quantum critical heavy fermion systems.
We further develop an extended dynamical mean-field approach introduced earlier. It goes beyond the standard $D=\ensuremath{\infty}$ dynamical mean field theory by incorporating quantum fluctuations associated with intersite (Ruderman-Kittel-Kasuya-Yosida like) interactions. This is achieved by scaling the intersite interactions to the same power in 1/D1/D1/D as that for the kinetic terms. In this approach, a correlated lattice problem is reduced to a single-impurity Anderson model with additional self-consistent bosonic baths. Here, we formulate the approach in terms of standard perturbation expansions. We show that the two-particle vertex functions are momentum-dependent, while the single-particle self-energy remains local. In spite of this, the approach is conserving. Finally, we also determine the form of a momentum-dependent dynamical susceptibility; the resulting expression relates it to the corresponding Weiss field, local correlation function and (momentum-dependent) intersite coupling.
The concept of electronic correlations plays an important role in modern condensed matter physics. It refers to interaction effects which cannot be explained within a static mean‐field picture as provided by Hartree‐Fock theory. Electronic correlations can have a very strong influence on the properties of materials. For example, they may turn a metal into an insulator (Mott‐Hubbard metal‐insulator transition). In these lecture notes I (i) introduce basic notions of the physics of correlated electronic systems, (ii) discuss the construction of mean‐field theories by taking the limit of high lattice dimensions, (iii) explain the simplifications of the many‐body perturbation theory in this limit which provide the basis for the formulation of a comprehensive mean‐field theory for correlated fermions, the dynamical mean‐field theory (DMFT), (v) derive the DMFT self‐consistency equations, and (vi) apply the DMFT to investigate electronic correlations in models and materials.
This review is devoted to generalization of dynamical mean-field theory (DMFT) for strongly correlated electronic systems towards the account of different types of additional interactions, necessary for correct physical description of many experimentally observed phenomena in such systems. As additional interactions we consider: (1) interaction of electrons with antiferromagnetic (or charge) fluctuations of order parameter in high-Tc superconductors leading to the formation of pseudogap state, (2) scattering of electrons on static disorder and its role in general picture of Anderson-Hubbard metal-insulator transition, (3) electron-phonon interaction and corresponding anomalies of electronic spectra in strongly correlated systems. Proposed DMFT+Sigma approach is based on taking into account above mentioned interactions by introducing additional self-energy Sigma (in general momentum dependent) into conventional DMFT scheme and calculated in a self-consistent way within the standard set of DMFT equations. Here we formulate general scheme of calculation of both one-particle (spectral functions and densities of states) and two-particle (optical conductivity) properties. We examine the problem of pseudogap formation, including the Fermi arc formation and partial destruction of the Fermi surface, metal-insulator transition in disordered Anderson-Hubbard model, and general picture of kink formation within electronic spectra in strongly correlated systems. DMFT+Sigma approach is generalized to describe realistic materials with strong electron-electron correlations based on LDA+DMFT method. General scheme of LDA+DMFT method is presented together with some of its applications to real systems. The LDA+DMFT+Sigma approach is employed to modelling of pseudogap state of electron and hole doped high-T_c cuprates. Comparison with variety of ARPES experiments is given.
The extended dynamical mean-field theory has played an important role in the study of quantum phase transitions in heavy-fermion systems. In order to incorporate the physics of unconventional superconductivity, we develop a cluster version of the extended dynamical mean-field theory. In this approach, we show how magnetic order and superconductivity develop as a result of intersite spin-exchange interactions, and analyze in some detail the form of correlation functions. We also discuss the methods that can be used to solve the dynamical equations associated with this approach. Finally, we consider different settings in which our approach can be applied, including the periodic Anderson model for heavy-fermion systems.
We review the dynamical mean-field theory of strongly correlated electron systems which is based on a mapping of lattice models onto quantum impurity models subject to a self-consistency condition. This mapping is exact for models of correlated electrons in the limit of large lattice coordination (or infinite spatial dimensions). It extends the standard mean-field construction from classical statistical mechanics to quantum problems. We discuss the physical ideas underlying this theory and its mathematical derivation. Various analytic and numerical techniques that have been developed recently in order to analyze and solve the dynamical mean-field equations are reviewed and compared to each other. The method can be used for the determination of phase diagrams (by comparing the stability of various types of long-range order), and the calculation of thermodynamic properties, one-particle Green's functions, and response functions. We review in detail the recent progress in understanding the Hubbard model and the Mott metal-insulator transition within this approach, including some comparison to experiments on three-dimensional transition-metal oxides. We present an overview of the rapidly developing field of applications of this method to other systems. The present limitations of the approach, and possible extensions of the formalism are finally discussed. Computer programs for the numerical implementation of this method are also provided with this article.