Transport spin polarization of magnetic C28 molecular junctions

We present a theoretical study of spin transport through a magnetic C28 molecule sandwiched between two Au (1 1 1) electrodes. The ab initio modeling is performed by spin density functional theory and nonequilibrium Green’s function technique. The results clearly show that the spin-resolved transmission spectra of C28 molecular junctions exhibit robust transport spin polarization (TSP) characteristics, which depends on the contact configuration. At the small bias voltage, the conductance of C28 is mainly determined by the spin-down electrons. The TSP behavior can be effectively tuned by the gate. Our results indicate that C28 molecule holds promise in future molecular spintronics applications.