Spatial locality of electronic correlations in LiFeAs

Minjae Kim, Hu Miao, Sangkook Choi, Manuel Zingl, Antoine Georges, Gabriel Kotliar

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

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 - Apr 5 2021

Funding

We acknowledge useful discussions with Andrea Damascelli and Ryan Day (who also kindly shared their unpublished ARPES data) as well as with Roser Valenti. This work was supported by the DOE CMS program (M.K. and G.K.). S.C. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences as a part of the Computational Materials Science Program. For the LQSGW calculation, we used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. H.M. was supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 for the U.S. Department of Energy. A.G. acknowledges the support of the European Research Council (ERC-319286-QMAC). The Flatiron Institute is a division of the Simons Foundation.

FundersFunder number
U.S. Department of EnergyDE-AC02-05CH11231
Office of Science
Basic Energy Sciences
Oak Ridge National Laboratory
Seventh Framework Programme319286
UT-BattelleDE-AC05-00OR22725
European Research Council

    Fingerprint

    Dive into the research topics of 'Spatial locality of electronic correlations in LiFeAs'. Together they form a unique fingerprint.

    Cite this