journal article·2021-04-05Open access

Spatial locality of electronic correlations in LiFeAs

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

Physical Review B· Volume 103· Issue 15

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.
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Research context

OpenAlex topics: Iron-based superconductors research · Physics of Superconductivity and Magnetism · Rare-earth and actinide compounds

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA

Department of Chemistry, Pohang University of Science and Technology (POSTECH), Pohang 37673, Korea

Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, New York 11973, USA

Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA

Collège de France, 11 Place Marcelin Berthelot, 75005 Paris, France

Centre de Physique Théorique, École Polytechnique, CNRS, Université Paris-Saclay, 91128 Palaiseau, France

Department of Quantum Matter Physics, University of Geneva, 24 Quai Ernest-Ansermet, 1211 Geneva 4, Switzerland

Funding

U.S. Department of Energy · European Research Council

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