Prediction of spin-orbital coupling effects on the electronic structure of two dimensional van der Waals heterostructures

We report a first-principles study on the electronic structure of van der Waals (vdW) heterostructures consisting of two dimensional (2D) materials. Herewith, we focus on the effects of spin-orbital coupling (SOC) and vdW forces. It is found that all 2D vdW heterostructures can preserve the electronic structure of the isolated 2D materials in the heterostructures. The 2D vdW h-BN/G and h-BN/BP heterostructures show the n-type Schottky barriers. The MoS2/G heterostructures show the p-type doping and a strong spin splitting due to SOC, which are the important features that provide a promising future for the application in electronics, optoelectronics and spin-filter devices.