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J Phys Condens Matter ; 33(6): 065602, 2021 Feb 10.
Article in English | MEDLINE | ID: mdl-32717728

ABSTRACT

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.

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