In this Letter we describe a new technique for investigating phase transitions and dynamics in interacting electron systems. This technique is based on the derivation and self-consistent solution of infinite-order conserving approximations. It provides a new approach to the study of two-particle correlations with strong frequency and momentum dependence. We use this technique to derive a low-temperature phase diagram and dynamic correlation functions for the two-dimensional Hubbard model.
In this Letter we describe a new technique for investigating phase transitions and dynamics in interacting electron systems. This technique is based on the derivation and self-consistent solution of infinite-order conserving approximations. It provides a new approach to the study of two-particle correlations with strong frequency and momentum dependence. We use this technique to derive a low-temperature phase diagram and dynamic correlation functions for the two-dimensional Hubbard model.
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.
Momentum- and frequency-dependent self-consistent field theories provide a potentially powerful tool for analyzing condensed-matter models for interacting electrons. Such theories generally require the solution of multidimensional integral equations. Solutions are limited by demands on computational time and storage, which increase rapidly for calculation of low-temperature properties. A renormalization-group technique which allows the sequential elimination of regions of high frequency and momentum is presented in detail, and is then applied to the solution of the fluctuation exchange approximation for the two-dimensional Hubbard model. Effective meshes with as many as 104 frequencies and 5122 k points can be analyzed on a vector supercomputer using this approach. As a sample application, it is demonstrated that the fluctuation exchange approximation exhibits non-Fermi liquid behavior near half filling for sufficiently large interaction strengths.
In condensed-matter physics, strongly-correlated systems refer to materials that exhibit variety of fascinating properties and ordered phases, depending on temperature, doping, and other factors. Such unique properties most notably arise due to strong electron-electron interactions, and in some cases due to interactions involving other quasiparticles as well. Electronic correlation effects are non-trivial that one may need a sufficiently accurate approximation technique with quite heavy computation, such as Quantum Monte-Carlo, in order to capture particular material properties arising from such effects. Meanwhile, less accurate techniques may come with lower numerical cost, but the ability to capture particular properties may highly depend on the choice of approximation. Among the many-body techniques derivable from Feynman diagrams, we aim to formulate algorithmic implementation of the Ladder Diagram approximation to capture the effects of electron-electron interactions. We wish to investigate how these correlation effects influence the temperature-dependent properties of strongly-correlated metals and semiconductors. As we are interested to study the temperature-dependent properties of the system, the Ladder diagram method needs to be applied in Matsubara frequency domain to obtain the self-consistent self-energy. However, at the end we would also need to compute the dynamical properties like density of states (DOS) and optical conductivity that are defined in the real frequency domain. For this purpose, we need to perform the analytic continuation procedure. At the end of this study, we will test the technique by observing the occurrence of metal-insulator transition in strongly-correlated metals, and renormalization of the band gap in strongly-correlated semiconductors.
The treatment of strongly interacting two-dimensional Fermi systems constitutes one of the most challenging problems in the field of condensed matter physics. Many theoretical works focused on the strongly coupled Hubbard model, since it is expected to capture the most important physics of cuprate superconductors. Due to our methodological improvements and understanding of the frequency dependence of the two-particle vertex function, the functional renormalization group combined with the dynamical mean field theory can now be used to study competing correlations in the strongly interacting regime. While limited to moderate interaction strengths, the functional renormalization group describes efficiently systems with a hierarchy of different energy scales and competing correlations. For instance, it provides definite evidence for d-wave superconductivity in the two-dimensional Hubbard model at moderate coupling. In a first project, we study the frequency dependence of the one-particle irreducible vertex function generated by the functional renormalization group flow. The frequency dependence, which becomes singular for strong interactions, appears to be important already for moderate couplings, and it cannot be represented by separate channels each depending on a single linear combination of frequencies. For strongly interacting systems, the dynamical mean field theory captures strong local correlation effects nonperturbatively. With this approximation, we study the impact of local correlations on the magnetic susceptibility. The local dynamics strongly affects the spin response function and its momentum dependence. In contrast to the widely used random-phase approximation with self-energy corrections that predicts Néel antiferromagnetic order, the local vertex corrections favor an incommensurate order similar to the ordering instability predicted by the Fermi surface geometry, as for weakly interacting systems. The dynamical mean field theory is also used as starting point for the functional renormalization group flow. We demonstrate that, due to our improvements for the parametrization of the vertex function, this approach is actually able to access the strong coupling physics. Moreover, we derive a flow scheme that conserves the local contributions and reduces the truncation error of the flow equations. In the strongly interacting regime, we capture strong d-wave pairing correlations driven by magnetic fluctuations with a mechanism similar to the one observed in the weakly interacting system.
We describe an iterative technique for solution of the de Dominicis--Martin parquet equations for lattice electrons and state the relationship of this approach to conserving extensions of Hartree-Fock theory. We propose a physically motivated and computationally feasible pseudopotential approximation, which allows the solution of the parquet equations for the two-dimensional Hubbard model. We present calculations of static and dynamic Hubbard-model correlation functions based on the pseudopotential parquet and a simpler conserving approximation. For a wide parameter range the pseudopotential parquet results are in nearly quantitative agreement with finite-lattice quantum Monte Carlo results.
The DCA+algorithm was recently introduced by Stear, Maier, and Schulthess [Phys. Rev. B 88, 115101 (2013)] to extend the dynamic cluster approximation (DCA) with a continuous lattice self-energy in order to achieve better convergence with cluster size. Here we extend the DCA+algorithm to the calculation of two-particle correlation functions by introducing irreducible vertex functions with continuous momentum dependence consistent with the DCA+self-energy. This enables a significantly more controlled and reliable study of phase transitions than with the DCA. We test the new method by calculating the superconducting transition temperature Tc in the attractive Hubbard model and show that it reproduces previous determinantal quantum Monte Carlo results. We then calculate Tc in the doped repulsive Hubbard model, for which previous DCA calculations could only access the weak-coupling (U=4t) regime for large clusters. We show that the new algorithm provides access to much larger clusters and delivers asymptotically converged results for Tc for both the weak (U=4t) and intermediate (U=7t) coupling regimes, and thereby enables the accurate determination of the exact infinite cluster size result.