Out-of-plane strain and electric field tunable electronic properties and Schottky contact of graphene/antimonene heterostructure

Abstract

In this paper, the electronic properties of graphene/monolayer antimonene (G/m-Sb) heterostructure have been studied using the density functional theory (DFT). The effects of out-of-plane strain (interlayer coupling) and electric field on the electronic properties and Schottky contact of the G/m-Sb heterostructure are also investigated. The results show that graphene is bound to m-Sb layer by a weak van-der-Waals interaction with the interlayer distance of 3.50 Å and the binding energy per carbon atom of −39.62 meV. We find that the n-type Schottky contact is formed at the G/m-Sb heterostructure with the Schottky barrier height (SBH) of 0.60 eV. By varying the interlayer distance between graphene and the m-Sb layer we can change the n-type and p-type SBH at the G/m-Sb heterostructure. Especially, we find the transformation from n-type to p-type Schottky contact with decreasing the interlayer distance. Furthermore, the SBH and the Schottky contact could be controlled by applying the perpendicular electric field. With the positive electric field, electrons can easily transfer from m-Sb to graphene layer, leading to the transition from n-type to p-type Schottky contact.