First principles study of the electronic properties and Schottky barrier in Cu2Si/C2N van der Waals heterostructures

Abstract

Listen

Translate article

Based on the first principles calculations, we have systematically investigated the electronic structures of Cu2Si/C2N van der Waals (vdW) heterostructures. We discovered that the electronic structures of Cu2Si and C2N monolayers are preserved in Cu2Si/C2N vdW heterostructures. There is a transition from the n-type Schottky contact to Ohmic contact when the interfacial distance decreases from 4.4 to 2.7 Å, which indicates that the Schottky barrier can be tuned effectively by the interfacial distance. Meanwhile, we find that the carrier concentration between the Cu2Si and C2N interfaces in the vdW heterostructures can be tuned. These findings suggest that the Cu2Si/C2N vdW heterostructure is a promising candidate for application in future nanoelectronics and optoelectronics devices.