Magnetic impurities on superconducting Pb surfaces

It has been predicted theoretically and found experimentally that magnetic impurities induce localized bound states within the superconducting energy gap, called Yu-Shiba-Rusinov (YSR) states. Combining symmetry analysis with experimental findings provides a convincing argument for the energy splitting and distribution of the YSR peaks, but the full details of the electronic structure remain elusive and simple models with point scatterers lack the full orbital complexity required to meet this challenge. In this work we combine a Greens function based first-principles method, which incorporates a phenomenological parameterization of the superconducting state, with orbitally complex impurity …