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TT: Fachverband Tiefe Temperaturen

TT 68: Superconductivity: Fe-based Superconductors - Theory I

TT 68.6: Vortrag

Mittwoch, 2. April 2014, 16:45–17:00, HSZ 201

de Haas-van Alphen effect and effective masses in KFe₂As₂ from LDA+DMFT — •Daniel Guterding, Steffen Backes, Harald O. Jeschke, and Roser Valenti — Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Str. 1, 60438 Frankfurt am Main, Germany

We investigate changes in de Haas-van Alphen (dHvA) frequencies and effective masses in the iron-based superconductor KFe₂As₂ upon inclusion of correlation effects beyond the local density approximation (LDA). Quantitative comparison of our findings to dHvA measurements shows that a combination of density functional theory with dynamical mean-field theory (LDA+DMFT) solves the disagreement between previous ab-initio calculations and experiment. We also show how to numerically extract de Haas-van Alphen frequencies and effective masses from band structure calculations.