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Condensed Matter Physics

Dynamical susceptibilities of the Falicov-Kimball model with correlated hopping: general approach

Andrij M. Shvaika, Oleg Farenyuk

Published Jan 1, 2009• 0 citations
Publisher

Abstract

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.

DOI
10.5488/cmp.12.1.63

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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.
A general scheme to calculate dynamical susceptibilities of strongly correlated electron systems within the dynamical mean eld theory is developed.The approach is based on an expansion over electron hopping around the atomic limit (within the diagrammatic technique for site operators: projection and Hubbard ones) in in nite dimensions.As an example, the Falicov{Kimball and simpli ed pseudospin-electron models are considered for which an analytical expressions for dynamical susceptibilities are obtained.
In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field theory (DMFT). The model describes a system, where electrons with spin-↓ are itinerant (with hopping amplitude t), whereas those with spin-↑ are localized. The particles interact via on-site U and intersite V density-density Coulomb interactions. We show that the HFA description of the ground state properties of the model is equivalent to the exact DMFT solution and provides a qualitatively correct picture also for a range of small temperatures. It does capture the discontinuous transition between ordered phases at U = 2V for small temperatures as well as correct features of the continuous order-disorder transition. However, the HFA predicts that the discontinuous boundary ends at the isolated-critical point (of the liquid-gas type) and it does not merge with the continuous boundary. This approach cannot also describe properly a change of order of the continuous transition for large V as well as various metal-insulator transitions found within the DMFT.
The Falicov-Kimball model with a correlated-hopping interaction is solved using an extended dynamical mean-field theory that becomes exact in the limit of large dimensions. The effect of correlated hopping is to introduce nonlocal self-energy components that retain full dynamics as $\stackrel{\ensuremath{\rightarrow}}{D}\ensuremath{\infty},$ thus introducing an explicit k dependence to the single-particle self-energy. An explicit solution for the homogeneous phase at D=2D=2D=2 reveals significant nonlocal dynamical contributions in the physically relevant regime of a moderately large correlated-hopping amplitude, indicating that important nonlocal correlations are omitted in Hubbard-like models upon neglecting the correlated-hopping interaction.
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].
A new numerical method, recently developed to study ground states of the Falicov-Kimball model (FKM), is used to examine the effects of correlated hopping on the ground-state properties of this model in two dimensions. It is shown that the ground-state phase diagram as well as the picture of metal-insulator transitions found for the conventional FKM (without correlated hopping) are substantially changed when the correlated hopping term is added. The effect of correlated hopping is so strong that it can induce the insulator-metal transition, even in the strong-coupling limit, where the ground states of the conventional FKM are insulating for all f-electron densities.