Dresden 2020 – wissenschaftliches Programm
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TT 16.18: Poster
Montag, 16. März 2020, 15:00–19:00, P2/EG
Implementation of the full-potential relativistic KKR-BdG method — •Philipp Rüßmann1, Phivos Mavropoulos2, and Stefan Blügel1 — 1Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany — 2Physics Department, National and Kapodistrian University of Athens, Greece
The realization of Majorana fermions in superconductor (SC)/topological insulator (TI) hybrid structures is a major international research challenge. Prerequisite is the understanding and optimization of SC/TI interface, which can in principle be achieved through the predictive power of density functional theory. However, treating superconductivity on this footing in complex systems, including defects, surfaces and interfaces, remains a major challenge. The Bogoliubov-de Gennes (BdG) method allows to combine the strengths of ab initio electronic structure calculations for the normal state with a simple description of the superconducting pairing interaction . While taking care of the complexity of the normal state band structure, a material-specific semiphenomenological parameter can be introduced to allow the calculation of the BdG quasiparticle spectrum in the superconducting state. – Here, we present the implementation of the BdG method into our full-potential relativistic Korringa-Kohn-Rostoker Green function method [https://jukkr.fz-juelich.de], following Csire et al. . We acknowledge financial support from DFG-Excellence Cluster ML4Q.
 G. Csire et al., Phys. Rev. B 91, 165142 (2015).