Transition metal-doped janus monolayer SMoSe with excellent thermal spin filter and spin Seebeck effect

Abstract Motivated by the recent experimental synthesis of the novel janus monolayer SMoSe, we propose the design of spin caloritronic material based on transition metal-doped SMoSe monolayer. Using density functional theory combined with the non-equilibrium Green's function method, we show that a perfect thermal spin filter and a negative differential thermoelectric resistance are obtained in Fe-doped SMoSe janus monolayer. For Cr-doped SMoSe janus monolayer on the other hand, the thermal induced spin-up and spin-down currents flow in opposite directions with nearly equal magnitude, producing a perfect spin Seebeck effect. These important results are elucidated through the band structures and transmission spectrum. Our findings put forward an effective route to design spin caloritronic devices, which can be applied in the future to waste heat recovery and information technology.