SKM 2021 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 5: Poster Session: Superconductivity

TT 5.5: Poster

Montag, 27. September 2021, 13:30–16:00, P

Impurities in inhomogeneous superconductors from Density Functional Theory — •David Antognini Silva, Philipp Rüssmann, and Stefan Blügel — Peter Grünberg Institute and Institute for Advanced Simulation, FZ Jülich and JARA, 52425 Jülich, Germany

As impurities in a given material can change the electronic properties of the pristine material and give rise to new unique behaviors, their study is crucial in material science. Very timely examples are impurities, atomic chains or nanostructures in superconductor heterostructures [1] where these defects can be instrumental to in-gap states or e.g. identifying Majorana modes in Yu-Shiba-Rusinov chains [2]. The relativistic full-potential Korringa-Kohn-Rostoker Green function (KKR-GF) method, used in the Density Functional Theory (DFT) framework, is particularly suited to perfectly embed impurities in materials. We extend the JuKKR code (https://jukkr.fz-juelich.de) by the Bogoliubov-de Gennes (BdG) formalism to treat inhomogeneous superconductors. In this poster we present an extension of the implementation to the impurity problem and present first results of magnetic impurities on superconductors.

This work was funded by the Deutsche Forschungsgemeinschaft (DFG) under Germany’s Excellence Strategy - Cluster of Excellence Matter and Light for Quantum Computing (ML4Q) EXC 2004/1 - 390534769.
[1] Z. Yan, Phys. Rev. B 100, 205406 (2019)
[2] L. Schneider et al., Nat. Phys. (2021)