Thermal spin transport of a nitroxide radical-based molecule

Abstract

Based on spin-polarized first-principles density functional theory combined with nonequilibrium Green's function method, the thermal spin transport properties of a nitroxide radical-based molecule sandwiched between two Au electrodes are investigated. The results show that opposite spin currents can be induced by applying a temperature difference, rather than bias voltage, between two electrodes. Moreover, a pure spin current and a completely spin-polarized current can be realized by tuning the transverse gate voltage. These results indicate that the nitroxide radical-based molecule is a potential material for spin caloritronic and spintronic applications.