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Spatial locality of electronic correlations in LiFeAs

  • Minjae Kim*
  • , Hu Miao
  • , Sangkook Choi
  • , Manuel Zingl
  • , Antoine Georges
  • , Gabriel Kotliar
  • *Corresponding author for this work
  • Rutgers - The State University of New Jersey, New Brunswick
  • Pohang University of Science and Technology
  • Oak Ridge National Laboratory
  • Brookhaven National Laboratory Condensed Matter Physics and Materials Science Department
  • Simons Foundation
  • Collège de France
  • Université Paris-Saclay
  • University of Geneva

Research output: Contribution to journalJournal articlepeer-review

Abstract

We address the question of the degree of spatial nonlocality of the self-energy in the iron-based superconductors, a subject which is receiving considerable attention. Using LiFeAs as a prototypical example, we extract the self-energy from angular-resolved photoemission spectroscopy data. We use two distinct electronic structure references: density functional theory in the local density approximation and linearized quasiparticle self-consistent GW (LQSGW). We find that with the LQSGW reference, spatially local dynamical correlations provide a consistent description of the experimental data, and account for some surprising aspects of the data such as the substantial out-of-plane dispersion of the electron Fermi surface having dominant xz/yz character. Hence, correlations effects can be separated into static nonlocal contributions well described by LQSGW and dynamical local contributions. Hall effect and resistivity data are shown to be consistent with this description.

Original languageEnglish
Article number155107
JournalPhysical Review B
Volume103
Issue number15
DOIs
StatePublished - 2021.04.5

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