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The European Physical Journal B

A new construction of thermodynamic mean-field theories of itinerant fermions: application to the Falicov-Kimball model

V. Janiš

Published Jun 1, 1991• 126 citations
Publisher
DOI
10.1007/bf01309423

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We theoretically analyze Fermi-Bose mixtures consisting of light fermions and heavy bosons that are loaded into optical lattices (ignoring the trapping potential). To describe such mixtures, we consider the Fermi-Bose version of the Falicov-Kimball model on a periodic lattice. This model can be exactly mapped onto the spinless Fermi-Fermi Falicov-Kimball model at zero temperature for all parameter space as long as the mixture is thermodynamically stable. We employ dynamical mean-field theory to investigate the evolution of the Fermi-Bose Falicov-Kimball model at higher temperatures. We calculate spectral moment sum rules for the retarded Green's function and self-energy, and use them to benchmark the accuracy of our numerical calculations, as well as to reduce the computational cost by exactly including the tails of infinite summations or products. We show how the occupancy of the bosons, single-particle many-body density of states for the fermions, momentum distribution, and the average kinetic energy evolve with temperature. We end by briefly discussing how to experimentally realize the Fermi-Bose Falicov-Kimball model in ultracold atomic systems.

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Strong electronic correlations generally require non-perturbative treatment. Local correlations are captured by dynamical mean-field theory while nonlocal correlations can be treated with diagrammatic extensions such as the Dual Fermion approach. Dual Fermion is built on physically motivated, but in principle uncontrolled approximations, so careful benchmarking is needed to understand the strengths and limitations of the method. In this work, we benchmark ladder Dual Fermion and dynamical mean-field theory for the Falicov-Kimball model with the exact classical Monte Carlo solution. We focus on the thermodynamics, electronic structure and susceptibility, especially at the combined frequency and momentum structure, and find that Dual Fermion clearly outperforms dynamical mean-field theory. Somewhat surprisingly, Dual Fermion is not as accurate for the relation between orbital density versus chemical potential in the doped system. These results demonstrate the need for rigorous benchmarking of diagrammatic extensions of dynamical mean-field theory for models with inequivalent orbitals, which is essential for modelling materials.

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Thermodynamics of the attractive Hubbard model in dynamic Mean-Field Theory

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We theoretically analyze Fermi-Bose mixtures consisting of light fermions and heavy bosons that are loaded into optical lattices (ignoring the trapping potential). To describe such mixtures, we consider the Fermi-Bose version of the Falicov-Kimball model on a periodic lattice. This model can be exactly mapped onto the spinless Fermi-Fermi Falicov-Kimball model at zero temperature for all parameter space as long as the mixture is thermodynamically stable. We employ dynamical mean-field theory to investigate the evolution of the Fermi-Bose Falicov-Kimball model at higher temperatures. We calculate spectral moment sum rules for the retarded Green's function and self-energy, and use them to benchmark the accuracy of our numerical calculations, as well as to reduce the computational cost by exactly including the tails of infinite summations or products. We show how the occupancy of the bosons, single-particle many-body density of states for the fermions, momentum distribution, and the average kinetic energy evolve with temperature. We end by briefly discussing how to experimentally realize the Fermi-Bose Falicov-Kimball model in ultracold atomic systems.
Strong electronic correlations generally require non-perturbative treatment. Local correlations are captured by dynamical mean-field theory while nonlocal correlations can be treated with diagrammatic extensions such as the Dual Fermion approach. Dual Fermion is built on physically motivated, but in principle uncontrolled approximations, so careful benchmarking is needed to understand the strengths and limitations of the method. In this work, we benchmark ladder Dual Fermion and dynamical mean-field theory for the Falicov-Kimball model with the exact classical Monte Carlo solution. We focus on the thermodynamics, electronic structure and susceptibility, especially at the combined frequency and momentum structure, and find that Dual Fermion clearly outperforms dynamical mean-field theory. Somewhat surprisingly, Dual Fermion is not as accurate for the relation between orbital density versus chemical potential in the doped system. These results demonstrate the need for rigorous benchmarking of diagrammatic extensions of dynamical mean-field theory for models with inequivalent orbitals, which is essential for modelling materials.