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Diagrammatic approach for the twofold degenerate Anderson impurity model

Vsevolod Moscalenco, Moskalenko, V.A., Dohotaru, L.A., Digor, D.F., Cebotari, I.D., Чеботарь, И.Д.

Published Jun 1, 2013• 0 citations
OpenAlex

Abstract

The twofold degenerate Anderson impurity model [1-4] is investigated in normal and superconducting states, and the strong electronic correlations of d-electrons of impurity ion are taken into account by elaborating a suitable diagram technique. We discuss the properties of the Slater-Kanamori model [2-4] of d-impurity electrons. After finding the eigenfunctions and eigenvalues of all 16 local states, we determine the local one-particle propagator. Then we construct the perturbation theory around the atomic limit of the impurity ion and obtain the Dyson type equations between impurity electron propagators and normal and anomalous correlation functions. By summing infinite series of ladder diagrams, the approximation for correlation functions is established. The criterion for appearance of a superconducting state of the model is discussed.

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The twofold degenerate Anderson impurity model [1-4] is investigated in normal and superconducting states, and the strong electronic correlations of d-electrons of impurity ion are taken into account by elaborating a suitable diagram technique. We discuss the properties of the Slater-Kanamori model [2-4] of d-impurity electrons. After finding the eigenfunctions and eigenvalues of all 16 local states, we determine the local one-particle propagator. Then we construct the perturbation theory around the atomic limit of the impurity ion and obtain the Dyson type equations between impurity electron propagators and normal and anomalous correlation functions. By summing infinite series of ladder diagrams, the approximation for correlation functions is established. The criterion for appearance of a superconducting state of the model is discussed.
We propose a diagrammatic theory around the atomic limit for the normal state of the Anderson impurity model. The new diagram method is based on Wick’s theorem for conduction electrons and a generalized Wick’s theorem for strongly correlated impurity electrons, which coincides with the definition of the Kubo cumulant. We prove a linked-cluster theorem for the mean of the evolution operator and obtain Dysontype equations for the one-particle propagators. The main element in these equations is the impurity electron correlation function, which contains the spin, charge, and pairing fluctuations of the system. We express the system thermodynamic potential in terms of the full propagator of conduction electrons and the correlation function. We establish that the thermodynamic potential is stationary under changes of the correlation function.
A review of electronic dynamics of single-impurity and many-impurity Anderson models is contained in this report. Those models are used widely for many of the applications in diverse fields of interest, such as surface physics, theory of chemisorption and adsorbate reactions on metal surfaces, physics of intermediate valence systems, theory of heavy fermions, physics of quantum dots and other nanostructures. While standard treatments are generally based on perturbation methods, our approach is based on the non-perturbative technique for the thermodynamic Green functions. The method of the irreducible Green functions is used as the basic tool. This irreducible Green functions method allows one to describe the quasiparticle spectra with damping of the strongly correlated electron systems in a very general and natural way and to construct the relevant dynamical solution in a self-consistent way on the level of Dyson equation without decoupling the chain of the equations of motion for the Green functions. The subject matter includes the improved interpolating solution of the Anderson model. It was shown that an interpolating approximation, which simultaneously reproduces the weak-coupling limit up to second order in the interaction strength U and the strong-coupling limit up to second order in the hybridization V (and thus also fulfils the atomic limit) can be formulated self-consistently. This approach offers a new way for the systematic construction of approximate interpolation dynamical solutions of strongly correlated electron systems.
We discuss the ground-state energy of the Anderson degenerate impurity model for both finite and infinite on-site Coulomb repulsion U. The goal of the paper is to demonstrate the applicability of a theoretical approach to static ground-state properties introduced recently. This approach is based on the projection technique and on the introduction of cumulants. It allows for proper treatment of strong electronic correlations that are incorporated in the model. It also guarantees the size consistency of the evaluated physical quantities. We start from a compact expression for the ground-state energy, which is expanded into a continued fraction. By summing up the infrared divergencies, a self-consistent equation for the ground-state energy is found. For degeneracy Nf{\mathit{N}}_{\mathit{f}}Nf​\ensuremath{\rightarrow}\ensuremath{\infty} and U\ensuremath{\rightarrow}\ensuremath{\infty} the equation can be solved rigorously and gives the well-known Varma-Yafet solution. For Nf{\mathit{N}}_{\mathit{f}}Nf​ and U both finite our procedure leads to the result of the variational approach of Gunnarsson and Sch\"onhammer.
The previously derived variational-derivative equations for the Hubbard model and for the single-impurity Anderson model after the Legendre transformation are represented in the form of a set of two nonlinear integral equations. The one-particle propagators of the number of particles and of the momentum that are defined by these equations exhibit a regular behavior in three limiting cases. First, for both models in the limit of the zero width of the conduction band (W/U = 0) there is obtained a result known as the atomic limit. Second, it has been shown that in the limit of U/W ≪ 1 the Pauli principle in the form of an additional coupling equation excludes from the perturbation-theory series some class of diagrams that are present in the standard expansion. Finally, for the case of U = ∞ and N e = N at − 1 in the framework of the Hubbard model there has been obtained an equation that agrees with the exact Nagaoka statement on the saturated ferromagnetism. A calculation has been performed of the density of impurity electron states in the symmetrical Anderson model in the paramagnetic phase for various values of the parameters of the Coulomb interaction U/πΓ and temperature T/Γ, where Γ is the width of the localized impurity level. The calculation results are in good agreement with the results obtained by other methods.
A microscopic theory of electronic spectrum and superconducting pairing within the Hubbard model is formulated.The Dyson equation for the normal and anomalous Green functions in terms of the Hubbard operators is derived by applying the Mori-type projection technique.The self-energy is evaluated in the noncrossing approximation for electron scattering on spin and charge fluctuations induced by kinematic interaction for Hubbard operators.Numerical results for electron dispersion in the strong correlation limit are presented.Superconducting pairing mediated by antiferromagnetic exchange and spin fluctuations is discussed.
The density of states, the dynamic (optical) conductivity, and the phase diagram of the paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean field theory (DMFT + Σ approximation). Strong correlations are accounted by the DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular “bare” density of states (DOS). The DMFT effective single-impurity problem is solved by numerical renormalization group (NRG). The “correlated metal,” Mott insulator, and correlated Anderson insulator phases are identified from the evolution of the density of states, optical conductivity, and localization length, demonstrating both Mott-Hubbard and Anderson metal-insulator transitions in two-dimensional systems of finite size, allowing us to construct the complete zero-temperature phase diagram of the paramagnetic Anderson-Hubbard model. The localization length in our approximation is practically independent of the strength of Hubbard correlations. But the divergence of the localization length in a finite-size two-dimensional system at small disorder signifies the existence of an effective Anderson transition.