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Regensburg 2022 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 10: Focus Session: Superconductivity in 2d-Materials and their Heterostructures

TT 10.8: Vortrag

Dienstag, 6. September 2022, 12:45–13:00, H3

Ab inito study of the van der Waals Superconductor NbSe2 — •Mohammad Hemmati, Philipp Rüßmann, and Stefan Blügel — Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, Jülich, Germany

Transition metal dichalcogenides (TMDCs) are a very versatile material class in which a plethora of physical phenomena can be realized. This ranges from the topological electronic structure in Weyl and Dirac semimetals to magnetic and even superconducting systems that can furthermore be combined due to the intrinsic van der Waals stacking in these materials. The TMDC NbSe2 is an example of a layered superconducting material which shows, for instance, the unconventional Ising superconductivity that is particularly robust against magnetic fields [1]. We study bulk and single-layer NbSe2 on the basis of first-principles calculations within the Korringa-Kohn-Rostoker Green function method which allows combining the accurate description of the electronic structure on the basis of density functional theory with a description of the superconductivity via the Bogoliubov-de Gennes formalism [2,3].

This work was funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy - Cluster of Excellence Matter and Light for Quantum Computing (ML4Q) EXC 2004/1 - 390534769.

[1] D. Wickramaratne et al., Phys. Rev. X 10, 041003 (2020)

[2] https://jukkr.fz-juelich.de

[3] P. Rüßmann, S. Blügel, arXiv:2110.01713 (2021)

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