The effective spin-splitting manipulation of monolayer WSe2 and Janus WSSe on SrIrO3(111) surface: A DFT study

Abstract

Spin regulation and manipulation in two-dimensional transition-metal dichalcogenides (TMDCs) is of great significance for two-dimensional spintronics. The electronic structure and spin feature of WSe2/SrIrO3(111) and WSSe/SrIrO3(111) interfaces were investigated by first-principles calculations with spin–orbital coupling, for which various and effective stacking configurations were considered. The spin-splitting of WSe2 at K point in the Brillouin zone can be significantly enhanced by the strong spin–orbital coupling of SrIrO3, while for WSSe, the enhanced spin-splitting is found at Q point. In particular, a small compressive strain of 1% can further strengthen the spin-splitting to 630 meV at K point, along with the p-type doping in WSe2. These findings provide a way to engineer the electronic structure and spin-splitting of TMDCs via strong interfacial spin–orbital coupling and appropriate strain field, which will extend their potential applications in spintronic devices.