Regensburg 2016 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 79: Superconductivity: Fe-based Superconductors - 122

TT 79.9: Vortrag

Donnerstag, 10. März 2016, 17:45–18:00, H21

Angle-resolved photoemission spectroscopy calculations on antiferromagnetic BaFe₂As₂ and Ba(Fe_1−xCo_x)₂As₂ based on the one-step model — •Gerald Derondeau¹, Jürgen Braun¹, Ján Minár^1,2, and Hubert Ebert¹ — ¹Department Chemie, Ludwig-Maximilians-Universität München, 81377 München, Germany — ²NewTechnologies-Research Center, University of West Bohemia, Pilsen, Czech Republic

The Korringa-Kohn-Rostoker-Green function (KKR-GF) method provides a very suitable platform to describe the electronic structure of iron pnictide superconducting compounds with substitutional disorder. [1] Having direct access to the Green function allows in a rather straightforward manner to perform calculations on angle-resolved photoemission spectroscopy (ARPES). This can be done on the basis of the one-step model of photoemission leading to results that can be directly compared to experimental ARPES data, unveiling significantly more information than pure band structure calculations. Corresponding ARPES calculations have been done with a focus on the strong in-plane anisotropy in antiferromagnetic BaFe₂As₂ and its evolution under Co substitution in Ba(Fe_1−xCo_x)₂As₂. The resulting ARPES spectra are discussed in comparison with experimental ARPES data measured on detwinned crystals. [2] In particular it is demonstrated that the variation of the electronic structure with Co substitution as monitored by ARPES is well reproduced by theory.

[1] G. Derondeau et al., Phys. Rev. B 90, 184509 (2014).

[2] M. Yi et al., PNAS 108, 6878 (2011).