Berlin 2015 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 21: Superconductivity: Poster Session

TT 21.30: Poster

Montag, 16. März 2015, 15:00–18:00, Poster B

QSGW+DMFT: an electronic structure scheme for the iron pnictides and beyond — •Jan Martin Tomczak — Institute of Solid State Physics, Vienna University of Technology, A-1040 Vienna, Austria

While in strongly correlated materials one often focuses on local electronic correlations, non-local exchange and correlation effects beyond band-theory can influence the physics of some systems even on a qualitative level. Here, I will argue that this is the case for the iron pnictide and chalcogenide superconductors. As an approach to tackle their electronic structure, I will detail the implementation of the recently proposed scheme that combines the quasi-particle self-consistent GW approach with dynamical mean-field theory: QSGW+DMFT [1,2]. I will showcase the possibilities of QSGW+DMFT with a simplified application on BaFe2As2. Further, I will discuss the empirical finding that in the iron pnictides and chalcogenides dynamical and non-local correlation effects separate within the quasi-particle band-width.

[1] arXiv:1411.5180.

[2] Phys. Rev. Lett. 109, 237010 (2012).

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