Dresden 2014 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 92: Superconductivity: Fe-based Superconductors - Theory II

TT 92.4: Talk

Thursday, April 3, 2014, 15:45–16:00, HSZ 201

Is LiFeO₂Fe₂Se₂ a typical iron-based superconductor? — •Christoph Heil, Lilia Boeri, Markus Aichhorn, Heinrich Sormann, and Wolfgang von der Linden — Institute of Theoretical and Computational Physics, University of Technology Graz, Austria

We study the electronic and magnetic properties of the recently synthesised [Lu et al., arXiv 1309.3833 (2013)] new iron-based superconductor LiFeO₂Fe₂Se₂ from first principles using GGA, LDA+U and LDA+DMFT. This material is a very interesting new member of the class of iron superconductors as it features an intercalated LiFeO₂ layer with a Fe 3d⁵ configuration. We calculate different magnetic configurations with first-principle methods, and find that the 3d⁵ Fe in the LiFeO₂ layer has a very big magnetic moment of µ ≈ 3.6, which would block all spin fluctuations in the FeSe layer. Based on our LDA+U and LDA+DMFT results, we will compare LiFeO₂Fe₂Se₂ with other typical iron-based superconductors and also more “exotic” ones.