Tunable schottky barrier in blue phosphorus–graphene heterojunction with normal strain

Abstract

The graphene–blue phosphorus van deer Waals (vDW) heterojunction was studied by using density functional theory. Our calculations reveal that the intrinsic electronic structure of blue phosphorus and graphene is well preserved and forms an n-type schottky barrier at equilibrium state. With increasing of normal tensile strain, the n-type is well kept. With compressive strain, the Dirac cone of graphene gradually shifts from conduction band minimum to valance band maximum of blue phosphorus, leading a turning of schottky barrier from n-type to p-type, which indicates an effective way to tune the electronic structure of vDW heterojunction.