| Literature DB >> 23368252 |
Jan M Tomczak1, M van Schilfgaarde, G Kotliar.
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.Entities:
Year: 2012 PMID: 23368252 DOI: 10.1103/PhysRevLett.109.237010
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161