Tunable Schottky contact in graphene/InP3 van der Waals heterostructures

To date, the study of contact behavior between graphene and two-dimensional semiconductors is an open topic. Here, we carry out the density-functional-theory to calculate graphene/InP3 van der Waals heterostructures. The results share that low binding energy and mechanical stability ensure that graphene/InP3 heterostructures can be prepared in the experiment. Moreover, n-type Schottky barrier is found in graphene/InP3 heterostructures. Shortening the layer spacing induces a shift of Schottky contact from n- to p-type, and finally makes graphene/InP3 heterostructures to be semiconductors under a large compressive strain. In addition, we design the Schottky barrier transistor on the basis of modulated contact type (Schottky to Ohmic contact) under external electric field, which also can tune the doping of graphene in graphene/InP3 heterostructures. These findings are of utmost significance to guiding the design of new generation graphene-based contact.