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arXiv:cond-mat/0506218 · Physical Review Letters

Bosonization Solution of the Falicov-Kimball Model

P. M. R. Brydon, M. Gulácsi

Published Jan 25, 2006• 5 citations
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Abstract

We use a novel approach to analyze the one-dimensional spinless Falicov-Kimball model. We derive a simple effective model for the occupation of the localized orbitals which clearly reveals the origin of the known ordering. Our study is extended to a quantum model with hybridization between the localized and itinerant states: We find a crossover between the well-known weak- and strong-coupling behaviors. The existence of electronic polarons at intermediate coupling is confirmed. A phase diagram is presented and discussed in detail.

DOI
10.1103/physrevlett.96.036407

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We use a novel approach to analyze the one-dimensional spinless Falicov-Kimball model. We derive a simple effective model for the occupation of the localized orbitals which clearly reveals the origin of the known ordering. Our study is extended to a quantum model with hybridization between the localized and itinerant states: We find a crossover between the well-known weak- and strong-coupling behaviors. The existence of electronic polarons at intermediate coupling is confirmed. A phase diagram is presented and discussed in detail.
We examine the one-dimensional spinless Falicov-Kimball model extended by a hybridization potential between the localized and itinerant electron states. Below half-filling we find a crossover from a mixed-valence metal to an integer-valence phase-separated state with increasing on-site Coulomb repulsion. This crossover regime is characterized by local competition between the strong- and weak-coupling behaviour, manifested by the formation of an electronic polaron liquid. A phase diagram is presented and discussed in detail.
We examine the spinless one-dimensional Falicov-Kimball model (FKM) below half filling, addressing both the binary alloy and valence transition interpretations of the model. Using a nonperturbative technique, we derive an effective Hamiltonian for the occupation of the localized orbitals, providing a comprehensive description of charge order in the FKM. In particular, we uncover the contradictory ordering roles of the forwardscattering and backscattering itinerant electrons: the latter are responsible for the crystalline phases, while the former produces the phase separation. We find an Ising model describes the transition between the phase separated state and the crystalline phases; for weak coupling we present the critical line equation, finding excellent agreement with numerical results. We consider several extensions of the FKM that preserve the classical nature of the localized states. We also investigate a parallel between the FKM and the Kondo lattice model, suggesting a close relationship based upon the similar orthogonality catastrophe physics of the associated single-impurity models.
The Falicov-Kimball model of spinless itinerant fermions and localized classical ions, on a one-dimensional lattice and at zero temperature, has been studied by means of restricted phase diagrams in the grand-canonical ensemble. Compared with earlier investigations a more efficient numerical procedure has been applied and consequently more precise phase diagrams have been obtained. For small and large values of the unique coupling parameter our study has confirmed the results obtained in other works; however for intermediate values we have found new kinds of periodic phases and structural phase transitions.
The extended Falicov-Kimball model, with both an on-site hybridization potential and dispersive narrow band, is examined within the saddle-point approximation to the Kotliar-Ruckenstein [Phys. Rev. Lett. 57, 1362 (1986)] slave-boson theory. We first set the hybridization potential to zero and find that the phase diagram depends strongly on the orbital structure: for degenerate orbitals, a correlated-insulating state is found at sufficiently strong interaction strengths, whereas a finite orbital energy difference can lead to discontinuous valence transitions. The obtained phase diagram is very sensitive to the presence of a finite hybridization potential. As in Hartree-Fock theory, we find an enhancement of the hybridization by the interorbital Coulomb repulsion. The more precise treatment of correlation effects, however, leads to large deviations from the Hartree-Fock results. In the limit of vanishing hybridization, an excitonic insulator state is only found when the orbitals are degenerate, which restricts this phase to a much smaller parameter space than in other available mean-field theories.
We present the first numerical study of the Falicov-Kimball model extended by an on-site hybridization away from the particle-hole symmetry point. Stable polaronic distortions of the charge-density wave (CDW) phase are observed when doping with a single hole. For moderate hole-doping, we find phase separation between a hole-rich homogeneous state and the usual CDW state. Excitonic order is enhanced around the hole-rich region, locally manifesting the global competition between this and the CDW phase. Associated with the hole-doping is a fractionalization of the electron density between the itinerant and localized electrons. The calculated local density of states at the polaron centre reveals this fractionalization to be the result of charge fluctuations induced by the hybridization. We propose a scanning tunneling microscope experiment to test our results.