Smogunov A, Dal Corso A, Tosatti E

The scattering-based approach for calculating the ballistic conductance of open quantum systems is generalized to deal with magnetic transition metals as described by ultrasoft pseudopotentials. As an application we present quantum-mechanical conductance calculations for monatomic Co and Ni nanowires with a magnetization reversal. We find that in both Co and Ni nanowires, at the Fermi energy, the conductance of d electrons is blocked by a magnetization reversal, while the s states (one per spin) are perfectly transmitted. d electrons have a nonvanishing transmission in a small energy window below the Fermi level. Here, transmission is larger in Ni than in Co.