Tunable electronic properties and band alignments of InS-arsenene heterostructures external strain and electric field

• Published in: New journal of chemistry 2021-02, Vol.45 (5), p.258-2519
• Main Authors: Yao, Hui, Zhang, Chao, Wang, Qiang, Li, Jianwei, Yu, Yunjin, Xu †, Fuming, Wang, Bin, Wei, Yadong
• Format: Article
• ISSN: 1144-0546; 1369-9261
• DOI: 10.1039/d0nj05787h

van der Waals heterostructures (vdWHs) based on two-dimensional (2D) materials have been extensively recognized as promising candidates for fabricating multi-functional novel devices. In this work, we investigated the structural and electronic properties of the InS-arsenene vdWH in some detail by using the first principles calculation method to explore its potential application in nanoelectronics. Numerical results show that the InS-arsenene vdWH possesses a stable structure, excellent flexibility, high carrier mobility and direct band gap semiconducting behavior. In particular, its electronic properties can be regulated effectively by vertical strain, in-plane strain and an external electric field. Vertical strain can tune the band gap of the semiconducting vdWH in a wide range with stable type-II band alignment. However, in-plane strain and an external electric field can even realize phase transitions from semiconducting to metallic behaviors, which implies great application potential of the InS-arsenene vdWH in multi-purpose nanoelectronic devices, optoelectronic devices and tunnel field-effect transistors (TFETs). This theoretical work would provide valuable guidance for fabricating the InS-arsenene vdWH and extending the application of InS and arsenene monolayers. van der Waals heterostructures (vdWHs) based on two-dimensional (2D) materials have been extensively recognized as promising candidates for fabricating multi-functional novel devices.