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Example Projects using JuKKR

JuDiT – Jülich Database of impurities embedded into a Topological insulator

A collection first principles calculations for impurities embedded into the strong topological insulator SbTe.

For details see: Philipp Rüßmann, Fabian Bertoldo, and Stefan Blügel, The AiiDA-KKR plugin and its application to high-throughput impurity embedding into a topological insulator, npj Comput Mater 7, 13 (2021). doi: 10.1038/s41524-020-00482-5