Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:1711.01108 · Physical review. B./Physical review. B

Extended Falicov-Kimball model: Exact solution for the ground state

R. Lemański, Konrad Jerzy Kapcia, S. Robaszkiewicz

Published Nov 1, 2017• 13 citations
arXivHTMLPDF

Abstract

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.

DOI
10.1103/physrevb.96.205102

Related papers

Extended Falicov–Kimball model: Hartree–Fock vs DMFT approach

Konrad Jerzy Kapcia, Romuald Lemański, Marcin Jakub Zygmunt

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.

arXiv:2011.07493•Journal of Physics Condensed Matter•Jul 27, 2020•6 citations

Exact dynamical mean-field theory of the Falicov-Kimball model

James K. Freericks, V. Zlatić

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 ${\mathrm{YbInCu}}_{4},$ ${\mathrm{EuNi}}_{2}({\mathrm{Si}}_{1\ensuremath{-}x}{\mathrm{Ge}}_{x}{)}_{2},$ ${\mathrm{NiI}}_{2},$ and ${\mathrm{Ta}}_{x}\mathrm{N}].$

arXiv:cond-mat/0301188•Reviews of Modern Physics•Oct 30, 2003•350 citations

Thermodynamics of the Generalized Spin-One-Half Falicov-Kimball Model in Two Dimensions

Martin Žonda, Pavol Farkašovský, Hana Čenčariková

The extrapolation of small-cluster exact-diagonalization calculations and the Monte Carlo method is used to study the spin-one-half Falicov-Kimball model extended by the spin-dependent Coulomb interaction (J) between the localized f and itinerant d electrons as well as the on-site Coulomb interaction (U f f ) between the localized f electrons.It is shown that in the symmetric case the ground-state phase diagram of the model has an extremely simple structure that consists of only two phases, and namely, the charge-density-wave phase and the spin-density-wave phase.The nonzero temperature studies showed that these phases persist also at finite temperatures.The same calculations that we performed for unsymmetric case showed that charge and spin ordering can be destroyed simultaneously or consecutively.

Acta Physica Polonica A•Jan 1, 2009•0 citations

Ground states of the Falicov-Kimball model with correlated hopping

Jacek Wojtkiewicz, R. Lemański

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 $(a/t,h)$ plane, where $a/t$ 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 $a/t.$

arXiv:cond-mat/0106200•Physical review. B, Condensed matter•Nov 8, 2001•28 citations

Exact mean-field theory of the extended simplified Hubbard model

P. G. J. van Dongen

The recently introduced concept of exact mean-field theories is applied to the extended simplified Hubbard model, which is a one-band extended Hubbard model (including nearest-neighbor interaction) where only the \ensuremath{\downarrow} electrons can hop. An exact mean-field Hamiltonian is derived for the model on a Bethe lattice in the limit of a large coordination number (Z\ensuremath{\rightarrow}\ensuremath{\infty}). The mean-field Hamiltonian is used to calculate the Green functions and the free energy at half-filling. This exact solution is analyzed analytically at small and large values of the on-site (U) and nearest-neighbor (V) interaction strengths. One finds that a phase transition occurs at sufficiently low temperatures for all U,V>0. The low-temperature phase is a charge-density wave for V>1/2U and a spin-density wave for V1/2U. Special attention is paid to (i) the critical temperature as a function of U and V, (ii) the order parameter as a function of temperature, and (iii) the density of states. The density of states shows that the low-temperature phase is an insulator for all U,V provided that V/U\ensuremath{\ne}1/2, while the high-temperature phase is a paramagnetic metal for all V if U2, and a paramagnetic insulator if U>2. Many detailed results are given.

Physical review. B, Condensed matter•Feb 1, 1992•84 citations

Slave-boson theory of the extended Falicov-Kimball model

P. M. R. Brydon

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.

arXiv:0706.1883•Physical Review B•Jan 9, 2008•17 citations
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.
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 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 extrapolation of small-cluster exact-diagonalization calculations and the Monte Carlo method is used to study the spin-one-half Falicov-Kimball model extended by the spin-dependent Coulomb interaction (J) between the localized f and itinerant d electrons as well as the on-site Coulomb interaction (U f f ) between the localized f electrons.It is shown that in the symmetric case the ground-state phase diagram of the model has an extremely simple structure that consists of only two phases, and namely, the charge-density-wave phase and the spin-density-wave phase.The nonzero temperature studies showed that these phases persist also at finite temperatures.The same calculations that we performed for unsymmetric case showed that charge and spin ordering can be destroyed simultaneously or consecutively.
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.
The recently introduced concept of exact mean-field theories is applied to the extended simplified Hubbard model, which is a one-band extended Hubbard model (including nearest-neighbor interaction) where only the \ensuremath{\downarrow} electrons can hop. An exact mean-field Hamiltonian is derived for the model on a Bethe lattice in the limit of a large coordination number (Z\ensuremath{\rightarrow}\ensuremath{\infty}). The mean-field Hamiltonian is used to calculate the Green functions and the free energy at half-filling. This exact solution is analyzed analytically at small and large values of the on-site (U) and nearest-neighbor (V) interaction strengths. One finds that a phase transition occurs at sufficiently low temperatures for all U,V>0. The low-temperature phase is a charge-density wave for V>1/2U and a spin-density wave for V1/2U. Special attention is paid to (i) the critical temperature as a function of U and V, (ii) the order parameter as a function of temperature, and (iii) the density of states. The density of states shows that the low-temperature phase is an insulator for all U,V provided that V/U\ensuremath{\ne}1/2, while the high-temperature phase is a paramagnetic metal for all V if U2, and a paramagnetic insulator if U>2. Many detailed results are given.
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.