Large Asymmetric Spin‐Scattering at Ferromagnet/Nonmagnetic Interfaces Predicted From First‐Principles Methods

ABSTRACT First‐principles methods based on DFT and multichannel Landauer formalism were first conducted to reproduce the recent experimental spin‐scattering asymmetry parameter, for FM/NM (FM: Co, Ni 81 Fe 19 ; NM:Pt). We show that originated from the spin‐dependent interface resistances due to spin‐dependent interface potential barriers, demonstrating the applicability of Barnás–Fert theory of scattering by interface potential step due to shifted electronic bands of FM with respect to NM. This further confirms the experimentally observed direct relationship of and spin‐polarization of bulk FM. The methods are then used to predict for other FM/NMs, where larger values of are found in FM:Fe, Co interfaces with NM: Ru, Rh, Pd, Ag. The highest value of yet reported was found in Co/Ru.