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Proximity-induced Cooper pairing at low and finite energies in the gold Rashba surface state

Philipp Rüßmann1,2*, Masoud Bahari1, Stefan Blügel2, Björn Trauzettel1

1 Institute of Theoretical Physics and Astrophysics, University of Würzburg, D-97074, Germany

2 Peter Grünberg Institut and Institute for Advanced Simulation, Forschungszentrum Jülich and JARA, D-52425 Jülich, Germany

* Corresponding authors emails: philipp.ruessmann@uni-wuerzburg.de
DOI10.24435/materialscloud:20-9z [version v1]

Publication date: Jun 26, 2023

How to cite this record

Philipp Rüßmann, Masoud Bahari, Stefan Blügel, Björn Trauzettel, Proximity-induced Cooper pairing at low and finite energies in the gold Rashba surface state, Materials Cloud Archive 2023.100 (2023), doi: 10.24435/materialscloud:20-9z.


Multi-band effects in superconducting heterostructures provide a rich playground for unconventional physics. We combine two complementary approaches based on density-functional theory (DFT) and effective low-energy model theory in order to investigate the proximity effect in a gold overlayer on the s-wave superconductor aluminium. We explain both theoretical approaches and intertwine the effective model and DFT analysis. This allows us to predict finite energy superconducting avoided crossings due to the interplay of the Rashba surface state of Au, and hybridization with the electronic structure of superconducting Al. We investigate the nature of the induced superconducting pairing and analyze their mixed singlet-triplet character. Our findings demonstrate the general recipes to explore material systems that exhibit novel finite-energy pairings. This dataset accompanies a publication where the data is presented and discussed in detail.

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File name Size Description
3.3 KiB Description of the dataset
Open this AiiDA archive on renkulab.io (https://renkulab.io/)
1.7 GiB AiiDA export file containing the data


Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Preprint (Paper where the data is discussed)
P. Rüßmann, M. Bahari, S. Blügel and B. Trauzettel, in preparation (2023)
Journal reference (Kohn-Sham Bogoliubov-de Gennes method paper for JuKKR)
P. Rüßmann and S. Blügel, Phys. Rev. B 105, 125143 (2022) doi:10.1103/PhysRevB.105.125143
Journal reference (AiiDA-KKR method paper)
P. Rüßmann, F. Bertoldo, and S. Blügel, npj Comput Mater 7, 13 (2021) doi:10.1038/s41524-020-00482-5
Software (Source code of the JuKKR package)
The JuKKR developers, JuDFTteam/JuKKR: v3.6 (v3.6), Zenodo. (2022) doi:10.5281/zenodo.7284739
Software (Source code of the AiiDA-KKR plugin)
P. Rüßmann, F. Bertoldo, J. Bröder, J. Wasmer, R. Mozumder, J. Chico, and S. Blügel, Zenodo (2021) doi:10.5281/zenodo.3628251


ab initio superconductivity Bogoliubov-de Gennes spin orbit coupling JuKKR

Version history:

2023.100 (version v1) [This version] Jun 26, 2023 DOI10.24435/materialscloud:20-9z