Tuning the electronic properties and Schottky barrier height of the vertical graphene/MoS2 heterostructure by an electric gating

摘要

In this paper, the electronic properties and Schottky contact in graphene/MoS2(G/MoS2) heterostructure under an applied electric field are investigated by means of the density functional theory. It can be seen that the electronic properties of the G/MoS2heterostructure are preserved upon contacting owing to the weak van der Waals interaction. We found that then-type Schottky contact is formed in the G/MoS2heterostructure with the Schottky barrier height of 0.49 eV. Furthermore, both Schottky contact and Schottky barrier height in the G/MoS2heterostructure could be controlled by the applied electric field. If a positive electric field of 4 Vm is applied to the system, a transformation from then-type Schottky contact to thep-type one was observed, whereas the system keeps ann-type Schottky contact when a negative electric field is applied. Our results may provide helpful information to design, fabricate, and understand the physics mechanism in the graphene-based two-dimensional van der Waals heterostructures like as G/MoS2heterostructure.