Effects of interlayer coupling on the electronic structures of antimonene/graphene van der Waals heterostructures

Using density functional theory calculations, we study the electronic structures of antimonene/graphene van der Waals(vdW) heterostructures. It is demonstrated that weak vdW interactions dominate between antimonene and graphene with their intrinsic electronic properties preserved. Furthermore, the n-type Schottky barrier to p-type Schottky barrier transition occurs when the interlayer distance decreases from 5.0 to 3.1 Å, which indicates that the Schottky barrier can be tuned effectively by the interlayer distance in the vdW heterostructures. We find that interfacial charge transfer and the Fermi level shift determine the Schottky barrier transition in the antimonene/graphene heterostructure. The present study would open a new avenue for application of ultrathin antimonene/graphene heterostructures in future nano- and optoelectronics.