Strain drived band aligment transition of the ferromagnetic VS 2 /C 3 N van derWaals heterostructure

• Published in: Chinese physics B 2021-09, Vol.30 (9), p.97507
• Main Authors: Shang, Jimin, Qiao, Shuai, Fang, Jingzhi, Wen, Hongyu, Wei, Zhongming
• Format: Article
• Language: English
• ISSN: 1674-1056
• DOI: 10.1088/1674-1056/ac0cd1

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 VS 2 /C 3 N van der Waals (vdW) heterostructure. Unlike the semiconductive properties with indirect band gaps in both the VS 2 and C 3 N 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 VS 2 /C 3 N 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.