Tunable Schottky barrier in InTe/graphene van der Waals heterostructure

The structures and electronic properties of InTe/graphene van der Waals heterostructures are systematically investigated using the first-principles calculations. The electronic properties of InTe monolayer and graphene are well preserved respectively and the bandgap energy of graphene is opened to 36.5 meV in the InTe/graphene heterostructure. An n-type Schottky contact is formed in InTe/graphene heterostructure at the equilibrium state. There is a transformation between n-type and p-type Schottky contact when the interlayer distance is smaller than 3.56 Å or the applied electric field is larger than −0.06 V Å⁻¹. In addition, the Schottky contact converts to Ohmic contact when the applied vertical electric field is larger than 0.11 V Å⁻¹ or smaller than −0.13 V Å⁻¹. (paper)