Contact properties of a vdW heterostructure composed of penta-graphene and penta-BN_2 sheets

摘要

Recently, many efforts have been devoted to the study of 2D van der Waals (vdW) heterostructures because of their potential applications in new functional electronic and optoelectronic devices. Here, we propose a vdW heterostructure composed of the recently identified semiconducting penta-graphene (PG) and metallic penta-BN2 (P-BN2) monolayers. State-of-the-art theoretical calculations reveal that the intrinsic electronic properties of PG and P-BN2 are well preserved in the heterostructure, an n-type Schottky barrier forms at the vertical interface between the two layers, and a negative band bending occurs at the lateral interface of the heterostructure and the PG monolayer. In addition, strain can be used to effectively tune the Schottky barrier. Both the Schottky barriers of electron and hole increase with stretching and decrease with compressing. More interestingly, the Schottky contact can be tuned from n-type to p-type when the interlayer distance between PG and P-BN2 in the heterostructure is changed, showing a flexible controllability in device applications. Published by AIP Publishing.