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.
Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials / Smogunov, A.; Dal Corso, Andrea; Tosatti, Erio. - In: PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. - ISSN 1098-0121. - 70:4(2004), pp. art.-no. 045417.1-art.-no. 045417.9. [10.1103/PhysRevB.70.045417]
Ballistic conductance of magnetic Co and Ni nanowires with ultrasoft pseudopotentials
Dal Corso, Andrea;Tosatti, Erio
2004-01-01
Abstract
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.File | Dimensione | Formato | |
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