Tao, K., Rungger, I., Sanvito, S., Stepanyuk, V. S.
Quantum conductance of a single magnetic atom: An ab initio study
Physical Review B 82, (8),pp 085412/1-4 (2010)
Our ab initio study explains recent puzzling experiments on the conductance of a single Co adatom deposited either on Cu(111) or on ferromagnetic Co islands and contacted with both magnetic and nonmagnetic electrodes [N. Neél, J. Kröger, and R. Berndt, Phys. Rev. Lett. 102, 086805 (2009)]. We provide clear evidence that the conductance of a single atomic junction in the contact regime is close to G0/2 (G0 is the quantum of conductance) for ferromagnetic electrodes and to G0 for nonmagnetic ones. Spin-dependent calculations reveal that a conductance of G0/2 originates from a combination of partially open majority and minority chanels. The bonding between the Co adatom and the Co island reduces significantly the contribution of the minority d electrons to the conductance, leading to the observation of half-integer conductance.
TH-2010-40