Many-Body Effects in Iron Pnictides and Chalcogenides: Nonlocal Versus Dynamic Origin of Effective Masses

Jan M. Tomczak, M. van Schilfgaarde, and G. Kotliar
Phys. Rev. Lett. 109, 237010 – Published 5 December 2012

Abstract

We apply the quasiparticle self-consistent GW approximation (QSGW) to some of the iron pnictide and chalcogenide superconductors. We compute Fermi surfaces and density of states, and find excellent agreement with experiment, substantially improving over standard band-structure methods. Analyzing the QSGW self-energy we discuss nonlocal and dynamic contributions to effective masses. We present evidence that the two contributions are mostly separable, since the quasiparticle weight is found to be essentially independent of momentum. The main effect of nonlocality is captured by the static but nonlocal QSGW effective potential. Moreover, these nonlocal self-energy corrections, absent in, e.g., dynamical mean field theory, can be relatively large. We show, on the other hand, that QSGW only partially accounts for dynamic renormalizations at low energies. These findings suggest that QSGW combined with dynamical mean field theory will capture most of the many-body physics in the iron pnictides and chalcogenides.

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  • Received 7 September 2012

DOI:https://doi.org/10.1103/PhysRevLett.109.237010

© 2012 American Physical Society

Authors & Affiliations

Jan M. Tomczak1, M. van Schilfgaarde2, and G. Kotliar1

  • 1Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA
  • 2Department of Physics, Kings College London, Strand, London WC2R 2LS, United Kingdom

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Issue

Vol. 109, Iss. 23 — 7 December 2012

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