Computational understanding of electronic properties of graphene/ PtS 2 heterostructure under electric field

Graphene-based two-dimensional van der Waals heterostructures (vdWH) have recently shown a great potential for high-performance nanodevices. Here, we design a novel vdWH, consisting of the graphene and a noble transition metal dichalcogenide PtS 2 monolayer and investigate its electronic properties as well as the effect of electric field. We find that the key intrinsic characteristics of both the graphene and PtS 2 monolayers are well preserved due to the weak vdW interactions. The graphene is found to form an n-type Schottky contact with the PtS 2 monolayer with a small barrier height of 0.11 eV. Moreover, this small barrier height of the G / PtS 2 vdWH is known to be very sensitive to the external electric field. It can be controlled and turned to the Ohmic contact under electric field. These findings could provide significant knowledge for designing novel electronic and optoelectronic devices of such heterostructure. © 2019, Springer-Verlag GmbH Germany, part of Springer Nature.