Browsing by Author "Garcia-Suarez, Victor"

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    Spin-filtering effect in the transport through a single-molecule magnet Mn-12 bridged between metallic electrodes
    Barraza-Lopez, Salvador; Park, Kyungwha; Garcia-Suarez, Victor; Ferrer, Jaime (American Institute of Physics, 2009-04-01)
    Electronic transport through a single-molecule magnet Mn-12 in a two-terminal setup is calculated using the nonequilibrium 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. c 2009 American Institute of Physics. [DOI: 10.1063/1.3072789]