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arXiv:cond-mat/0312482 · International Journal of Modern Physics B

MOMENTUM DISTRIBUTION OF ITINERANT ELECTRONS IN THE ONE-DIMENSIONAL FALICOV–KIMBALL MODEL

Pavol Farkašovský

Published Oct 30, 2003• 11 citations
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Abstract

The momentum distribution nk of itinerant electrons in the one-dimensional Falicov–Kimball model is calculated for various ground-state phases. In particular, we examine the periodic phases with period two, three and four (that are ground-states for all Coulomb interactions) as well as the phase separated states (that are ground states for small Coulomb interactions). For all periodic phases examined the momentum distribution is a smooth function of k with no sign of any discontinuity or singular behavior at the Fermi surface k=kF. An unusual behavior of nk (a local maximum) is found at k=3kF for electron concentrations outside half-filling. For the phase separated ground states the momentum distribution nk exhibits discontinuity at k=k0<kF. This behavior is interpreted in terms of a Fermi liquid.

DOI
10.1142/s0217979203023021

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The momentum distribution nk of itinerant electrons in the one-dimensional Falicov–Kimball model is calculated for various ground-state phases. In particular, we examine the periodic phases with period two, three and four (that are ground-states for all Coulomb interactions) as well as the phase separated states (that are ground states for small Coulomb interactions). For all periodic phases examined the momentum distribution is a smooth function of k with no sign of any discontinuity or singular behavior at the Fermi surface k=kF. An unusual behavior of nk (a local maximum) is found at k=3kF for electron concentrations outside half-filling. For the phase separated ground states the momentum distribution nk exhibits discontinuity at k=k0<kF. This behavior is interpreted in terms of a Fermi liquid.
The momentum distribution nk of itinerant electrons in the one-dimensional Falicov-Kimball model is calculated for various ground-state phases. In particular, we examine the periodic phases with period two, three and four (that are ground-states for all Coulomb interactions) as well as the phase separated states (that are ground states for small Coulomb interactions). For all periodic phases examined the momentum distribution is a smooth function of k with no sign of any discontinuity or singular behavior at the Fermi surface k = kF. An unusual behavior of nk (a local maximum) is found at k = 3kF for electron concentrations outside half-filling. For the phase separated ground states the momentum distribution nk exhibits discontinuity at k = k0 < kF. This behavior is interpreted in terms of a Fermi liquid. PACS nrs.: 71.27.+a, 71.28.+d, 71.30.+h
The spinless Falicov-Kimball model is studied by the use of a recently developed projector-based renormalization method for many-particle Hamiltonians. The method is used to evaluate static and dynamic quantities of the one-dimensional model at half-filling. These include the quasiparticle excitation energy ${\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\epsilon}}}_{k}$, the momentum distribution nk{n}_{k}nk​ of the conduction electrons, and the spatial correlation functions of the localized electrons. One of the most remarkable results is the appearance of a gap in ${\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\ensuremath{\epsilon}}}_{k}$ at the Fermi level of the order of the Coulomb repulsion UUU, which is accompanied by a smooth behavior for nk{n}_{k}nk​. The density of states for the conduction electrons and the one-particle spectral functions for the localized electrons are also discussed. In both quantities, a gap opens with increasing UUU.
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.
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.
We consider the one-dimensional spinless Falicov-Kimball model of itinerant fermionic particles (``spinless electrons''), which can hop between nearest-neighbour sites only, and of immobile particles (``classical ions''), with an on-site attraction. Extensive studies of the ground-state phase diagram of this system and its higher dimensional counterparts, carried out up to now, concentrated on determining ground-state arrangements of ions on the underlying lattice, while the properties of electrons were typically ignored. We report studies of short- and long-range correlations between electrons, and between ions and electrons, and of the spatial decay of electron correlations (decay of single-particle density matrix), in the ground state. The studies have been carried out analytically and by means of well-controlled numerical procedures. In the case of period 2 ground state, the single-particle density matrix has been expressed in terms of a hypergeometric function, and its spatial decay has been extracted. Numerical calculations have been done for open chains of various lengths (up to a few thousand sites), in order to control the chain-size dependence of correlations and to extrapolate the results to the limit of infinite chain. A part of the obtained results refers to tight-binding electrons subjected to a periodic external potential due to the ions, which constitute simple models of metals and insulators.
The two-state, one-dimensional, spinless Fermi gas (Falicov-Kimball model) is studied exactly by numerical calculation and perturbation theory. Rigorous results are presented for small interaction strength and (restricted) coherent and incoherent phase diagrams are calculated for two specific examples. The numerical calculations are extrapolated to provide a qualitative picture of the complete solution. The result includes a fractal structure in which the ground-state changes discontinuously as a function of the parameters.