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 language | English |
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Article number | 155107 |
Journal | Physical Review B |
Volume | 103 |
Issue number | 15 |
DOIs | |
State | Published - 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We acknowledge useful discussions with Andrea Damascelli and Ryan Day (who also kindly shared their unpublished ARPES data) as well as with Roser Valenti.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.
Funders | Funder number |
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U.S. Department of Energy | DE-AC02-05CH11231 |
Office of Science | |
Basic Energy Sciences | |
Oak Ridge National Laboratory | |
Seventh Framework Programme | 319286 |
UT-Battelle | DE-AC05-00OR22725 |
European Research Council |