Spin-dependent thermoelectronic transport of a single molecule magnet Mn(dmit)2

We investigate spin-dependent thermoelectronic transport properties of a single molecule magnet Mn(dmit)2 sandwiched between two Au electrodes using first-principles density functional theory combined with nonequilibrium Green's function method. By applying a temperature difference between the two Au electrodes, spin-up and spin-down currents flowing in opposite directions can be induced due to asymmetric distribution of the spin-up and spin-down transmission spectra around the Fermi level. A pure spin current and 100% spin polarization are achieved by tuning back-gate voltage to the system. The spin caloritronics of the molecule with a perpendicular conformation is also explored, where the spin-down current is blocked strongly. These results suggest that Mn(dmit)2 is a promising material for spin caloritronic applications