Spin splitting and p-/n-type doping of two-dimensional WSe/BiIrO(111) heterostructures.

The electronic structure of monolayer WSe/BiIrO(111) interfaces is investigated by first-principles calculations. The different polar directions of bilayer BiIrO(111) can induce the p- or n-type doping of WSe, indicating that the conductivity of monolayer WSe can be effectively modulated by switching the polarization of bilayer BiIrO(111). Meanwhile, in B1 and B4 models, the spin splitting energies of WSe are 413.7 and 416.6 meV, which decrease by 52.9 and 50.0 meV compared to that of pristine monolayer WSe of 466.6 meV. Additionally, by applying a perpendicular electric field of 0.1 V nm, the spin splitting can be increased from 413.7 to 421.5 meV. However, spin splitting shows robustness against large electric fields. The results are useful in the design of novel two-dimensional transition metal dichalcogenide devices.