Spin-filtering effect in the transport through a single-molecule magnet Mn12 bridged between metallic electrodes

Electronic transport through a single-molecule magnet Mn12 in a two-terminal setup is calculated using the nonequilibrium Green’s function method in conjunction with density-functional theory. A single-molecule magnet Mn12 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.