Electronic Properties of Graphene-PtSe₂ Contacts

In this article, we study the electronic properties of graphene in contact with monolayer and bilayer PtSe₂ using first-principles calculations. It turns out that there is no charge transfer between the components because of the weak van der Waals interaction. We calculate the work functions of monolayer and bilayer PtSe₂ and analyze the band bending at the contact with graphene. The formation of an n-type Schottky contact with monolayer PtSe₂ and a p-type Schottky contact with bilayer PtSe₂ is demonstrated. The Schottky barrier height is very low in the bilayer case and can be reduced to zero by 0.8% biaxial tensile strain.