Physics – Condensed Matter – Materials Science
Scientific paper
2009-01-27
Journal of Applied Physics 105, 07E309 (2009)
Physics
Condensed Matter
Materials Science
Accepted for publication at J. Appl. Phys
Scientific paper
10.1063/1.3072789
Electronic transport through a single-molecule magnet Mn$_{12}$ in a two-terminal set up is calculated using the non-equilibrium Green's function method in conjunction with density-functional theory. A single-molecule magnet Mn$_{12}$ is bridged between Au(111) electrodes via thiol group and alkane chains such that its magnetic easy axis is normal to the transport direction. A computed spin-polarized transmission coefficient in zero-bias reveals that resonant tunneling near the Fermi level occurs through some molecular orbitals of majority spin only. Thus, for low bias voltages, a spin-filtering effect such as only one spin component contributing to the conductance, is expected. This effect would persist even with inclusion of additional electron correlations.
Barraza-Lopez Salvador
Ferrer Jaime
García-Suárez Víctor
Park Kyungwha
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