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arXiv:cond-mat/9807232

The Falicov-Kimball Model with Long--Range Hopping Matrices

Oscar Bolina, Domingos H. U. Marchetti

Published Jul 15, 1998• 1 citation
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Abstract

The ground state nature of the Falicov-Kimball model with unconstrained hopping of electrons is investigated. We solve the eigenvalue problem in a pedagogical manner and give a complete account of the ground state energy both as a function of the number of electrons and nuclei and as a function of the total number of particles for any value of interaction U. We also study the energy gap and show the existence of a phase transition characterized by the absence of gap at the half--filled band for U<0. The model in consideration was proposed and solved by Farkasovsky for finite lattices and repulsive on-site interaction U>0. Contrary to his proposal we conveniently scale the hopping matrix to guarantee the existence of the thermodynamic limit. We also solve this model with bipartite unconstrained hopping matrices in order to compare with the Kennedy--Lieb variational analysis.

DOI
10.48550/arxiv.cond-mat/9807232

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The ground state nature of the Falicov-Kimball model with unconstrained hopping of electrons is investigated. We solve the eigenvalue problem in a pedagogical manner and give a complete account of the ground state energy both as a function of the number of electrons and nuclei and as a function of the total number of particles for any value of interaction U. We also study the energy gap and show the existence of a phase transition characterized by the absence of gap at the half--filled band for U<0. The model in consideration was proposed and solved by Farkasovsky for finite lattices and repulsive on-site interaction U>0. Contrary to his proposal we conveniently scale the hopping matrix to guarantee the existence of the thermodynamic limit. We also solve this model with bipartite unconstrained hopping matrices in order to compare with the Kennedy--Lieb variational analysis.
The ground-state nature of the Falicov–Kimball model of mobile electrons and fixed nuclei on complete graphs is investigated. We give a pedagogic derivation of the eigenvalue problem and present a complete account of the ground-state energy both as a function of the number of electrons and nuclei and as a function of the total number of particles for any value of interaction U [Formula: see text] [Formula: see text]. We also study the energy gap and show the existence of a phase transition characterized by the absence of gap at the half-filled band for U < 0. The model in consideration was proposed and partially solved by Farkasovsky for finite graphs and repulsive on-site interaction U > 0. Contrary to his proposal, we conveniently scale the hopping matrix to guarantee the existence of the thermodynamic limit. We also solve this model on bipartite complete graphs and examine how sharp the Kennedy–Lieb variational estimate is as compared with the exact ground state. PACS Nos.: 71.2-b, 02.10Gd
Two-dimensional spinless Falicov-Kimball model (FKM) with correlated hopping is studied perturbatively in the limit of large on-site Coulomb interaction U. In the half filled case (i.e., ${\ensuremath{\rho}}_{i}+{\ensuremath{\rho}}_{e}=1,$ where ${\ensuremath{\rho}}_{i},{\ensuremath{\rho}}_{e}$ are densities of ions and electrons, respectively) the effective Hamiltonian in spin variables is derived up to terms proportional to ${U}^{\ensuremath{-}3}.$ Unlike the simplest FKM case, it contains odd parity terms (resulting from the correlated hopping) in addition to even parity ones. The ground-state phase diagram of the effective Hamiltonian is examined in the (a/t,h)(a/t,h)(a/t,h) plane, where a/ta/ta/t is a parameter characterizing strength of the correlated hopping and h is a difference of chemical potentials of two sorts of particles present in the system. It appears to be asymmetric with respect to the change $\stackrel{\ensuremath{\rightarrow}}{h}\ensuremath{-}h$ and an additional ordered phase is found for a certain interval of a/t.a/t.a/t.
Both canonical and grand canonical phase diagrams of the one dimensional Falicov-Kimball model (FKM) with correlated hopping are presented for several values of the model parameters. Using the method of restricted phase diagrams the system has been studied in the thermodynamic limit. As compare to the conventional FKM, the diagrams exhibit a loss of the particle-hole symmetry. PACS D5.30.Fk, 71.30+h As the simplest, still non-trivial model of highly correlated electron systems, the Falicov-Kimball model (FKM) attracts growing attention among solid state physicists. It can describe variety of the most intriguing cooperative phenomena, as metal-insulator transition, mixed-valence phenomenon etc. (see e.g. the review [1]). The model deals with itinerant particles (electrons) that can hope between nearest-neighbor sites. Some of lattice sites are occupied by non-movable particles, playing a role of ions or localized electrons; we call them ”ions”. The only interaction in the system is the on-site, Coulomb-type interaction between the electrons and the ions. The interaction generates long-range correlations between the ions. The model has been investigated thoroughly in nineties. Numerous approximate results supplemented with some exact and rigorous statements reported up to now provide a good basis for further extensions of the model towards more realistic physical situations. These include the discussed here model with correlated hopping, according to which the electron hopping rate depends on occupations of relevant sites. The Hamiltonian of the FKM with correlated hopping reads:
A general class of hopping models on a finite bipartite lattice is considered, including the Hubbard model and the Falicov–Kimball model. For the half-filled band, the single-particle density matrix ρ(x,y) in the ground state and in the canonical and grand canonical ensembles is shown to be constant on the diagonal x=y, and to vanish if x≠y and if x and y are on the same sublattice. For free electron hopping models, it is shown in addition that there are no correlations between sites of the same sublattice in any higher order density matrix. Physical implications are discussed.
In this work, we study two models of strongly correlated fermions: Hubbard and FalicovKimball. We present a proof of the existence of real and ordered solutions to the nested Bethe Ansatz equations for the one dimensional Hubbard model on a finite lattice, with periodic boundary conditions. The existence of a continuous set of solutions extending from any U > 0 to U = ∞ is also shown, where U is the strength of the interaction between fermions at the same site. We use this continuity property, combined with the proof that the norm of the wavefunction obtained with the generalized Bethe Ansatz is not zero, to prove that the solution gives us the ground state of the finite system, as assumed by Lieb and Wu. For the absolute ground state at half-filling, we show that the solution converges to a distribution in the thermodynamic limit. This limit distribution satisfies the integral equations that led to the Lieb-Wu solution of the 1D Hubbard model. We also obtain a lower bound for the ground state energy of the Falicov-Kimball model. This bound is given by a bulk term, plus a term proportional to the boundary. A numerical value for the coefficient of the boundary term is determined. The explicit derivation is important in the proof of the conjecture of segregation of the two kinds of fermions in the Falicov-Kimball model, for sufficiently large interactions.
The Falicov-Kimball model is a lattice model of itinerant spinless fermions ("electrons") interacting by an on-site potential with classical particles ("ions"). We continue the investigations of the crystalline ground states that appear for various filling of electrons and ions, for large coupling. We investigate the model for square as well as triangular lattices. New ground states are found and the effects of a magnetic flux on the structure of the phase diagram is studied. The flux phase problem where one has to find the optimal flux configurations and the nuclei configurations is also solved in some cases. Finaly we consider a model where the fermions are replaced by hard-core bosons. This model also has crystalline ground states. Therefore their existence does not require the Pauli principle, but only the on-site hard-core constraint for the itinerant particles.