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We have implemented the Bogoliubov-de Gennes (BdG) equation in a screened Korringa-Kohn- Rostoker (KKR) method for solving, self-consistently, the superconducting state for 3d crystals including substitutional impurities. In this report we extend this theoretical framework to allow for collinear magnetism and apply it to fcc Pb with 3d magnetic impurities. In the presence of magnetic impurities, there is a pair-breaking effect that results in sup-gap Yu-Shiba-Rusinov (YSR) states which we decompose into contributions from the individual orbital character. We determine the spatial extent of these impurity states, showing how the different orbital character affects the details of the YSR states within the superconducting gap. Our work highlights the importance of the first principles based description which captures the quantitative details making direct comparisons possible with experimental findings.
Yu-Shiba-Rusinov (YSR) bound states appear when a magnetic atom interacts with a superconductor. Here, we report on spin-resolved spectroscopic studies of YSR states related with Fe atoms deposited on the surface of the topological superconductor FeT
The coupling of a spin to an underlying substrate is the basis for a plethora of phenomena. In the case of a metallic substrate, Kondo screening of the adatom magnetic moment can occur. As the substrate turns superconducting, an intriguing situation
We present a fully relativistic first principles based theoretical approach for the calculation of the spectral properties of magnetic impurities on the surface of a superconducting substrate, providing a material specific framework for the investiga
Theoretical descriptions of Yu-Shiba-Rusinov (YSR) states induced by magnetic impurities inside the gap of a superconductor typically rely on a classical spin model or are restricted to spin-1/2 quantum spins. These models fail to account for importa
There is presently a tremendous activity around the field of topological superconductivity and Majorana fermions. Among the many questions raised, it has become increasingly important to establish the topological or non-topological origin of features