Type-II tunable SiC/InSe heterostructures under an electric field and biaxial strain

• Published in: Physical chemistry chemical physics : PCCP Vol. 22; no. 17; pp. 9647 - 9655
• Main Authors: Wang, Zhu, Zhang, Yan, Wei, Xing, Guo, Tingting, Fan, Jibin, Ni, Lei, Weng, Yijun, Zha, Zhengdi, Liu, Jian, Tian, Ye, Li, Ting, Duan, Li
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 06.05.2020
• Subjects: Compressive properties; Density functional theory; Electric fields; Energy gap; First principles; Heterostructures; Optoelectronics; Stark effect; Tensile strain
• ISSN: 1463-9076; 1463-9084; 1463-9084
• DOI: 10.1039/d0cp00291g

In this study, first-principles calculations based on the density functional theory (DFT) are exploited to investigate the electronic capabilities of SiC/InSe heterostructures. According to our results, the SiC/InSe heterostructure possesses an inherent type-II band alignment, which displays a noticeable Stark effect on the band gap under a stable electric field. Besides, the heterostructure exhibits a low carrier effective mass and a narrower band gap when it is subject to tensile strain. More interestingly, the transition from an indirect to a direct band gap occurs when 8% of compressive strain is applied. Taken together, findings in this study indicate that the SiC/InSe heterostructure opens up a new avenue for its application in the fields of optoelectronics and microelectronics. A novel type II band alignment with lower carrier effective mass can be adjusted by an electric field and strain.