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arXiv:1506.03200 · Physical Review E

Thermodynamics of weakly coupled Falicov-Kimball chains from renormalization-group theory

J. Szṅajd

Published Jun 8, 2015• 0 citations
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Abstract

The linear perturbation renormalization group is used to study spinless two-band fermion chains at half-filling. The model consists of two species of spinless fermions, namely localized f and extended p, and it takes into account the following: the kinetic energy of fermions p, the on-site Coulomb repulsion V between p and f fermions, chemical potentials μ(p) and μ(f) adjusted in such a way that the average of the site occupation 〈n(f)(i)〉+〈n(p)(i)〉=1, and a weak interchain hopping t(x). The average occupation number, the specific heat, and the correlation functions are studied as functions of temperature. For a single chain the occupation number is a smooth function of T and the specific heat displays two maxima. The weak interchain hopping triggers a discontinuity in the occupation number of fermions as a function of temperature. A long-standing controversy on whether the Falicov-Kimball model can describe a discontinuous transition of n(f) is also addressed.

DOI
10.1103/physreve.91.062111

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The linear perturbation renormalization group is used to study spinless two-band fermion chains at half-filling. The model consists of two species of spinless fermions, namely localized f and extended p, and it takes into account the following: the kinetic energy of fermions p, the on-site Coulomb repulsion V between p and f fermions, chemical potentials μ(p) and μ(f) adjusted in such a way that the average of the site occupation 〈n(f)(i)〉+〈n(p)(i)〉=1, and a weak interchain hopping t(x). The average occupation number, the specific heat, and the correlation functions are studied as functions of temperature. For a single chain the occupation number is a smooth function of T and the specific heat displays two maxima. The weak interchain hopping triggers a discontinuity in the occupation number of fermions as a function of temperature. A long-standing controversy on whether the Falicov-Kimball model can describe a discontinuous transition of n(f) is also addressed.
The linear renormalization-group transformation is used to study the thermodynamics of weakly coupled spinless fermion chains at half-filling. The model consists of a competing nearest-neighbour Coulomb repulsion and kinetic energy terms. The specific heat and the nearest-neighbour correlation function are studied as functions of temperature by varying the ratio of Coulomb repulsion to kinetic energy. The role of an interchain hopping is studied and the metal–insulator phase transition temperature as a function of hopping parameters is discussed.
In order to contribute to understand well the finite-temperature properties of the Falicov-Kimball model, we study the temperature dependence of the specific heat, internal energy, entropy, and mean square fluctuation of the difference between the ion and electron numbers, and of the correlation functions of the one-dimensional half-filled-band Falicov-Kimball model. For this purpose we used the method of small-cluster exact-diagonalization calculations with the application of the grand canonical ensemble and of extrapolation techniques to the infinite chain. Our results show that the examined Falicov-Kimball model exhibits behavior of alternate electron-ion short-range ordering at low temperature, and gradual metal-insulator transition at high temperature, but, does not exhibit the crossing point of the specific heat curves, characteristic of the Hubbard model.
Using a nonperturbative functional renormalization group approach involving both fermionic and bosonic fields we calculate the interaction-induced change of the Fermi surface of spinless fermions moving on two chains connected by weak interchain hopping ${t}_{\ensuremath{\perp}}$. For a model containing interband backward scattering only we show that the distance $\ensuremath{\Delta}$ between the Fermi momenta associated with the bonding and the antibonding band can be strongly reduced, corresponding to a large reduction of the effective interchain hopping ${t}_{\ensuremath{\perp}}^{*}\ensuremath{\propto}\ensuremath{\Delta}$. A self-consistent one-loop approximation neglecting marginal vertex corrections and wave-function renormalizations predicts a confinement transition for sufficiently large interchain backscattering, where the renormalized ${t}_{\ensuremath{\perp}}^{*}$ vanishes. However, a more accurate calculation taking vertex corrections and wave-function renormalizations into account predicts only weak confinement in the sense that $0<\ensuremath{\mid}{t}_{\ensuremath{\perp}}^{*}\ensuremath{\mid}⪡\ensuremath{\mid}{t}_{\ensuremath{\perp}}\ensuremath{\mid}$. Our method can be applied to other strong-coupling problems where the dominant scattering channel is known.
The thermodynamic properties of the extended Falicov-Kimball model (FKM) for spinless fermions are studied as a function of temperature, doping, and interlevel spacing on the two-dimensional lattice. Thermodynamic quantities are calculated using the finite-temperature Lanczos method with additional phase averaging for a system of $4\ifmmode\times\else\texttimes\fi{}4$ sites. Changes of the thermodynamic properties are studied as the system evolves from its symmetric limit represented by the original Hubbard model to the other limiting case, which corresponds to the original FKM for spinless fermions. Our results indicate that valence transition exists in the extended Falicov-Kimball model.
Specific heat and charge susceptibility are computed for the Falicov-Kimball model with two spinless impurities embedded in a fermionic bath. The model takes into account the Coulomb scattering and hybridization between local levels and conduction states. The numerical renormalization group with two discretization parameters is used to obtain the spectrum of the model, from which the thermodynamic is obtained. We discuss the importance of going beyond the usual approximation that projects all momenta at the Fermi level.
The two-dimensional Falicov-Kimball (FK) model is analyzed using 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.