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arXiv:cond-mat/0005097 · Physical review. B, Condensed matter

Dynamical charge susceptibility of the spinless Falicov-Kimball model

James K. Freericks, Paul C. Miller

Published Oct 15, 2000• 25 citations
arXivHTMLPDF

Abstract

An exact solution is presented for the frequency-dependent charge susceptibility of the spinless Falicov-Kimball model by using dynamical mean-field theory. We develop a nontrivial application of the Baym-Kadanoff ``conserving approximation'' formalism to exactly determine the frequency-dependent vertex function (which turns out to assume a particularly simple form). We show how the static and dynamic susceptibilities are decoupled in this model and how the dynamic susceptibility generically does not show any signal of the low-temperature charge-density-wave phase transition. We also examine the temperature evolution of the dynamic charge susceptibility for the special case of half-filling.

DOI
10.1103/physrevb.62.10022

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An exact solution is presented for the frequency-dependent charge susceptibility of the spinless Falicov-Kimball model by using dynamical mean-field theory. We develop a nontrivial application of the Baym-Kadanoff ``conserving approximation'' formalism to exactly determine the frequency-dependent vertex function (which turns out to assume a particularly simple form). We show how the static and dynamic susceptibilities are decoupled in this model and how the dynamic susceptibility generically does not show any signal of the low-temperature charge-density-wave phase transition. We also examine the temperature evolution of the dynamic charge susceptibility for the special case of half-filling.
We study the spectral properties of the charge-density-wave (CDW) phase of the half-filled spinless Falicov-Kimball model within the framework of the dynamical mean field theory. We present detailed results for the spectral function in the CDW phase as a function of temperature and UUU. We show how the proximity of the non-Fermi liquid phase affects the CDW phase, and show that there is a region in the phase diagram where we get a CDW phase without a gap in the spectral function. This is a radical deviation from the mean-field prediction where the gap is proportional to the order parameter.
We derive the dynamical mean-field theory equations for transport in an ordered charge-density-wave phase on a bipartite lattice. The formalism is applied to the spinless Falicov-Kimball model on a hypercubic lattice at half filling. We determine the many-body density of states, the dc charge and heat conductivities, and the optical conductivity. Vertex corrections continue to vanish within the ordered phase, but the density of states and the transport coefficients show anomalous behavior due to the rapid development of thermally activated subgap states. We also examine the optical sum rule and sum rules for the first three moments of the Green's functions within the ordered phase and see that the total optical spectral weight in the ordered phase either decreases or increases depending on the strength of the interactions.
The extended Falicov-Kimball model is analyzed exactly in the ground state at half filling in the limit of large dimensions. In the model the on-site and the intersite density-density interactions between all particles are included. We determined the model's phase diagram and found a discontinuous transition between two different charge-ordered phases. Our analytical calculations show that the ground state of the system is insulating for any nonzero values of the interaction couplings. We also show that the dynamical mean-field theory and the static broken-symmetry Hartree-Fock mean-field approximation give the same results for the model at zero temperature. In addition, we prove using analytical expressions that at infinitesimally small, but finite, temperatures the system can be metallic.
The Falicov-Kimball model with correlated hopping is studied in the limit of infinite spatial dimensions.Dynamical susceptibilities are calculated using the generalization of the Dynamical Mean-Field Theory (DMFT), which is based on expansion over electron hopping around the single-site limit.A special case of semi-elliptic density of states and diagonal correlated hopping is considered numerically and the absence of phase transition for all temperatures except T = 0 is demonstrated, which corresponds to the known results.
The Falicov-Kimball model was introduced in 1969 as a statistical model for metal-insulator transitions; it includes itinerant and localized electrons that mutually interact with a local Coulomb interaction and is the simplest model of electron correlations. It can be solved exactly with dynamical mean-field theory in the limit of large spatial dimensions, which provides an interesting benchmark for the physics of locally correlated systems. In this review, the authors develop the formalism for solving the Falicov-Kimball model from a path-integral perspective and provide a number of expressions for single- and two-particle properties. Many important theoretical results are examined that show the absence of Fermi-liquid features and provide a detailed description of the static and dynamic correlation functions and of transport properties. The parameter space is rich and one finds a variety of many-body features like metal-insulator transitions, classical valence fluctuating transitions, metamagnetic transitions, charge-density-wave order-disorder transitions, and phase separation. At the same time, a number of experimental systems have been discovered that show anomalies related to Falicov-Kimball physics [including YbInCu4,{\mathrm{YbInCu}}_{4},YbInCu4​, ${\mathrm{EuNi}}_{2}({\mathrm{Si}}_{1\ensuremath{-}x}{\mathrm{Ge}}_{x}{)}_{2},$ NiI2,{\mathrm{NiI}}_{2},NiI2​, and TaxN].{\mathrm{Ta}}_{x}\mathrm{N}].Tax​N].
The two-dimensional Falicov-Kimball (FK) model is analyzed using the Monte Carlo method. In the case of concentrations of both itinerant and localized particles equal to 0.5 we determine temperature dependence of specific heat, charge density wave susceptibility, and density-density correlation function. In the weak interaction regime we find a first order transition to the ordered state and anomalous temperature dependence of the correlation function. We construct the phase diagram of half-filled FK model. Also, the role of next-nearest-neighbor hopping on the phase diagram is analyzed. Lastly, we discuss the density of states and the spectral functions for the mobile particles in weak and strong interaction regime.