An all-carbon vdW heterojunction composed of penta-graphene and graphene: Tuning the Schottky barrier by electrostatic gating or nitrogen doping

The non-zero band gap together with other unique properties endows penta-graphene with potential for device applications. Here, we study the performance of penta-graphene as the channel material contacting with graphene to form a van der Waals heterostructure. Based on first-principles calculations, we show that the intrinsic properties of penta-graphene are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The stacked system forms an n-type Schottky barrier (Phi(e)) at the vertical interface, while a negative band bending occurs at the lateral interface in a current-in-plane model. From the device point of view, we further demonstrate that a low-Phi(e) or an Ohmic contact can be realized by applying an external electric field or doping graphene with nitrogen atoms. This allows the control of the Schottky barrier height, which is essential in fabricating penta-graphene-based nanotransistors. Published by AIP Publishing.