English

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

Strongly Correlated Electrons 2020-11-17 v1 Materials Science Statistical Mechanics Computational Physics Quantum Physics

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-\downarrow are itinerant (with hopping amplitude tt), whereas those with spin-\uparrow are localized. The particles interact via on-site UU and intersite VV 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=2VU=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 VV as well as various metal-insulator transitions found within the DMFT.

Keywords

Cite

@article{arxiv.2011.07493,
  title  = {Extended Falicov-Kimball model: Hartree-Fock vs DMFT approach},
  author = {Konrad Jerzy Kapcia and Romuald Lemański and Marcin Jakub Zygmunt},
  journal= {arXiv preprint arXiv:2011.07493},
  year   = {2020}
}

Comments

13 pages, 7 figures; pdfReVTex class. This is the Accepted Manuscript version (author created) of an article accepted for publication in J. Phys.: Condens. Matter. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The article has been published on a gold open access basis under a CC BY 3.0 licence