Materials for quantum information technology
Current and future technology heavily rely on the quantum nature of materials. Examples are found everywhere with applications in information technology, quantum computing, or energy efficient electronics. Superconductivity plays a major role in these materials and its understanding in complex material heterostructures is of great importance.
In our group we develop and apply density functional theory based methods that are capable of describing heterostructure of superconductors and non-superconductors which are based on the Bogoliubov-de Gennes extension to our JuKKR density functional theory code (https://jukkr.fz-juelich.de).
Together with high-throughput automation of our calculations (https://github.com/JuDFTteam/aiida-kkr) and the application of machine learning approaches we seek a deeper understanding of the physics of such complex heterostructures and aim at the computational design of materials for future quantum technologies.
- Density functional theory
- Machine learning
Dr. Philipp Rüßmann
Building 04.8 / Room 131
· Weber, P. Rüßmann, N. Xu, S. Muff, M. Fanciulli, A. Magrez, P. Bugnon, H. Berger, N. C. Plumb, M. Shi, S. Blügel, P. Mavropoulos, and J. H. Dil, Spin-Resolved Electronic Response to the Phase Transition in MoTe2, Phys. Rev. Lett. 121, 156401 (2018).
· P. Rüßmann, S. Mahatha, P. Sessi, M. Valbuena, T. Bathon, K. Fauth, S. Godey, A. Mugarza, K. A. Kokh, O. Tereshchenko, P. Gargiani, M. Valvidares, E. Jimenez, N. Brookes, M. Bode, G. Bihlmayer, S. Blügel, P. Mavropoulos, C. Carbone, and A. Barla, Towards microscopic control of the magnetic exchange coupling at the surface of a topological insulator, J. Phys.: Mater. 1, 015002 (2018).
· P. Rüßmann, P. Mavropoulos, and S. Blügel, Lifetime and surface-to-bulk scattering off vacancies of the topological surface state in the three-dimensional strong topological insulators Bi2Te3 and Bi2Se3, Journal of Physics and Chemistry of Solids 128, 258-264 (2019).
· Tcakaev, V. B. Zabolotnyy, C. I. Fornari, P. Rüßmann, T. R. F. Peixoto, F. Stier, M. Dettbarn, P. Kagerer, E. Weschke, E. Schierle, P. Bencok, P. H. O. Rappl, E. Abramof, H. Bentmann, E. Goering, F. Reinert, and V. Hinkov, Incipient antiferromagnetism in the Eu-doped topological insulator Bi2Te3, Phys. Rev. B 102, 184401 (2020). Editors suggestion
· P. Rüßmann, F. Bertoldo, and S. Blügel, The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator, npj Comput Mater 7, 13 (2021).
· P. Rüßmann and S. Blügel, Density functional Bogoliubov-de Gennes analysis of superconducting Nb and Nb(110) surfaces, Phys. Rev. B 105, 125143 (2022)