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arXiv:1302.1404

Energy spectrum of pseudospin-electron model in the dynamical mean-field theory

Ihor V. Stasyuk, Володимир Олександрович Краснов

Published Feb 6, 2013• 0 citations
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Abstract

The pseudospin-electron model in the case of infinite on-site electron repulsion is investigated. The electron energy spectrum is calculated within the framework of the dynamical mean field theory (DMFT), and the alloy analogy approximation is developed. The effect of the pseudospin-electron interaction, local asymmetry field, and tunneling-like level splitting on the existence and the number of electron subbands is investigated. The relation of the pseudospin-electron model to the problem of energy spectrum of boson-fermion mixtures in optical lattices is discussed.

DOI
10.48550/arxiv.1302.1404

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The pseudospin-electron model in the case of infinite on-site electron repulsion is investigated. The electron energy spectrum is calculated within the framework of the dynamical mean field theory (DMFT), and the alloy analogy approximation is developed. The effect of the pseudospin-electron interaction, local asymmetry field, and tunneling-like level splitting on the existence and the number of electron subbands is investigated. The relation of the pseudospin-electron model to the problem of energy spectrum of boson-fermion mixtures in optical lattices is discussed.
An approximate analytical scheme of the dynamical mean-field theory (DMFT), that is used for electron systems with Hubbard correlations and is exact in the limit of the infinite dimensionality of a space, is developed.The effective single-site problem arising in the framework of this method is formulated in terms of the auxiliary Fermi-field.The irreducible Green's function technique with the projecting on the Hubbard basis of Fermi-operators is used for its solution.A system of DMFT equations is obtained in the approximation which is a generalization of the Hubbard-III approximation and combines it with a self-consistent renormalization of the local electron levels.It is shown that the proposed approach includes as simple specific cases a number of known approximations (Hubbard-III, AA, MAA, . . . ) based on the assumption of the single-site structure of the electron selfenergy.
Think globally, act locally. Summary Dynamical mean-field theory is designed to treat systems with local effective interactions that are strong compared with the independent-particle terms that lead to delocalized band-like states. Interactions are taken into account by a many-body calculation for an auxiliary system, a site embedded in a dynamical mean field, that is chosen to best represent the coupling to the rest of the crystal. The methods are constructed to be exact in three limits: interacting electrons on isolated sites, a lattice with no interactions, and the limit of infinite dimensions d → ∞ where mean-field theory is exact. This chapter is devoted to the general formulation, the single-site approximation where the calculation of the self-energy is mapped onto a self-consistent quantum impurity problem, and instructive examples for the Hubbard model on a d → ∞ Bethe lattice. Further developments and applications are the topics of Chs. 17–21. One of the most rewarding features of condensed matter theory is the ability to address difficult problems from different points of view. The preceding Chs. 9–15 present an approach based on perturbation expansions in the Coulomb interaction. In particular, the GW approximation for the self-energy has proven to be extremely successful in describing electronic spectra of many materials, as described in Ch. 13. The methods can be applied to the ordered states of materials with d and f states, for example, ferromagnetic Ni and anti-ferromagnetic NiO, as described in Secs. 13.4 and 20.7. However, the GW and related approximations have difficulties in treating cases with degenerate or nearly degenerate states and low-energy excitations. Present-day methods do not describe phenomena like the fluctuations of local moments in a ferromagnetic material above the Curie temperature or the insulating character of NiO in the paramagnetic phase; more generally, they have difficulty describing strong correlation. The topic of this chapter and Chs. 17–21 is dynamical mean-field theory, which is also a Green's function method in which the key quantity is the self-energy. However, it is designed to treat strong interactions for electrons in localized atomic-like states, such as the d and f states in transition metals, lanthanide and actinide elements and compounds.
Abstract We derive a dynamical mean‐field theory for mixtures of interacting bosons and fermions on a lattice (BF‐DMFT). The BF‐DMFT is a comprehensive, thermodynamically consistent framework for the theoretical investigation of Bose‐Fermi mixtures and is applicable for arbitrary values of the coupling parameters and temperatures. It becomes exact in the limit of high spatial dimensions d or coordination number Z of the lattice. In particular, the BF‐DMFT treats normal and condensed bosons on equal footing and thus includes the effects caused by their dynamic coupling. Using the BF‐DMFT we investigate two different interaction models of correlated lattice bosons and fermions, one where all particles are spinless (model I) and one where fermions carry a spin one‐half (model II). In model I the local, repulsive interaction between bosons and fermions can give rise to an attractive effective interaction between the bosons. In model II it can also lead to an attraction between the fermions.
Energy spectrum and thermodynamics of the pseudospin{electron model are investigated in the dynamical mean eld approximation (d = 1 limit).In the limit of zero electron correlation this model is analytically exactly soluble within this approach: in the = const regime the rst order phase transition with the jump of the pseudospin mean value and reconstruction of the electron spectrum can be realized, while in the n = const regime the phase separation in electron subsystem can take place for certain values of the model parameters.On the basis of the obtained results the applicability of the approximate schemes previously used for the investigation of the pseudospin{ electron model are discussed.
The boson-fermion model, describing a mixture of itinerant electrons hybridizing with tightly bound electron pairs represented as hardcore bosons, is here generalized with the inclusion of a term describing on-site Coulomb repulsion between fermions with opposite spins. Within the general framework of the dynamical mean-field theory, it is shown that around the symmetric limit of the model this interaction strongly competes with the local boson-fermion exchange mechanism, smoothly driving the system from a pseudogap phase with poor conducting properties to a metallic regime characterized by a substantial reduction of the fermionic density. On the other hand, if one starts from correlated fermions described in terms of the one-band Hubbard model, the introduction in the half-filled insulating phase of a coupling with hardcore bosons leads to the disappearance of the correlation gap, with a consequent smooth crossover to a metallic state.