Original Publication Date
The Journal of Chemical Physics
DOI of Original Publication
Date of Submission
Theoretical studies of the spin transport through a magnetic superatom dimer (Cs8V)-(Cs8V) have been carried out within a density functional theory combined with nonequilibrium Green's-function formalism. It is shown that the electronic transport is sensitive to the binding site as well as the contact distance between the dimer and the electrode, and that the conductance at zero bias exhibits an oscillatory behavior as a function of the contact distance. The conductance in ferromagnetic state shows an unusually high spin polarization that exceeds 80% at large separations. The I–V curve shows negative differential resistance for specific contact distances, whose origin lies in the shift of frontier energy levels as well as the charged state of the superatom, under external bias.
Zhu, L., and Khanna, S. N. Quantum spin transport through magnetic superatom dimer (Cs8V-Cs8V). The Journal of Chemical Physics, 137, 164311 (2012). Copyright © 2012 American Institute of Physics.
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VCU Physics Publications