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Berlin 2012 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 19: Correlated Electrons: (General) Theory 2

TT 19.5: Talk

Tuesday, March 27, 2012, 10:30–10:45, H 3010

(contribution withdrawn)

Generalized Coulomb interaction parameters for every point group symmetry — •Anna Toth1,2, Andrey Kutepov2, Gabriel Kotliar2, Philipp Hansmann3,1, Nico Parragh1, Giorgio Sangiovanni1, and Karsten Held11Institute for Solid State Physics, Vienna University of Technology, Vienna, Austria — 2Department of Physics, Rutgers University, Piscataway, New Jersey, USA — 3Centre de Physique Theorique, Ecole Polytechnique, Palaiseau, Cedex, France

We show how to construct the independent two-electron interactions in arbitrary crystal field and for arbitrary spin-orbit coupling strength. We establish the correspondence between these interactions and the Hubbard term and Hund’s rule coupling. Our scheme, which takes the point group fully into account, gives additional parameters beyond the standard Slater integrals (which describe the spherical symmetric case), or the Kanamori scheme. As an application, we determine the strength of these couplings in BaFe2As2 based on the self-consistent GW method, and give a comprehensive comparison between the different schemes.

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