Dresden 2011 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 10: Poster Session: Superconductivity

TT 10.17: Poster

Montag, 14. März 2011, 14:00–18:00, P4

Applicability of the vitual crystal approximation to the band structure of Fe pnictides — •Alexander Yaresko — Max Planck Institute for Solid State Research, Stuttgart, Germany

Band structure calculations were performed for supercells of BaFe₂As₂ with an Fe ion substituted by 3d (Mn, Co) or 4d (Ru) transition metal one. Comparison of the Fermi surfaces to those calculated for electron (hole) doped BaFe₂As₂ using the virtual crystal approximation shows that the variation of the size of the Fermi surfaces upon Co (Mn) substitution can be well reproduced by corresponding doping. Substitution of Fe by Ru does not affect the size of the Fermi surfaces but leads to an appreciable increase of the band width. The strength of intra- and inter-band impurity scattering is estimated.