Strain drived band aligment transition of the ferromagnetic VS2/C3N van derWaals heterostructure* *Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0207500), Natural Science Foundation of Henan Province, China (Grant No. 202300410507), and Key Research & Development and Promotion Projects in Henan Province, China (Grant No. 212102210134).

Abstract

Exploring two-dimensional (2D) magnetic heterostructures is essential for future spintronic and optoelectronic devices. Herein, using first-principle calculations, stable ferromagnetic ordering and colorful electronic properties are established by constructing the VS2/C3N van der Waals (vdW) heterostructure. Unlike the semiconductive properties with indirect band gaps in both the VS2 and C3N monolayers, our results indicate that a direct band gap with type-II band alignment and p-doping characters are realized in the spin-up channel of the VS2/C3N heterostructure, and a typical type-III band alignment with a broken-gap in the spin-down channel. Furthermore, the band alignments in the two spin channels can be effectively tuned by applying tensile strain. An interchangement between the type-II and type-III band alignments occurs in the two spin channels, as the tensile strain increases to 4%. The attractive magnetic properties and the unique band alignments could be useful for prospective applications in the next-generation tunneling devices and spintronic devices.