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Hidden Fermi surface in K$_x$Fe$_{2-y}$Se$_2$: LDA+DMFT study

Strongly Correlated Electrons 2019-02-06 v1

Abstract

In this paper we provide theoretical LDA+DMFT support of recent ARPES experimental observation of the so called hidden hole like band and corresponding hidden Fermi surface sheet near Γ\Gamma-point in the K0.62_{0.62}Fe1.7_{1.7}Se2_2 compound. To some extent this is a solution to the long-standing riddle of Fermi surface absence around Γ\Gamma-point in the Kx_xFe2y_{2-y}Se2_2 class of iron chalcogenide superconductors. In accordance with the experimental data Fermi surface was found near the Γ\Gamma-point within LDA+DMFT calculations. Based on the LDA+DMFT analysis in this paper it is shown that the largest of the experimental Fermi surface sheets is actually formed by a hybrid Fe-3d(xy,xz,yzxy,xz,yz) quasiparticle band. It is also shown that the Fermi surface is not a simple circle as DFT-LDA predicts, but has (according to the LDA+DMFT) a more complicated `propeller'-like structure due to correlations and multiorbital nature of the Kx_xFe2y_{2-y}Se2_2 materials. While the smallest experimental Fermi surface around Γ\Gamma-point is in some sense fictitious, since it is formed by the summation of the intensities of the spectral function associated with `propeller' loupes and is not connected to any of quasiparticle bands.

Keywords

Cite

@article{arxiv.1902.01556,
  title  = {Hidden Fermi surface in K$_x$Fe$_{2-y}$Se$_2$: LDA+DMFT study},
  author = {I. A. Nekrasov and N. S. Pavlov},
  journal= {arXiv preprint arXiv:1902.01556},
  year   = {2019}
}

Comments

4 pages, 4 figures

R2 v1 2026-06-23T07:32:12.492Z