Nguyen, C.V. and Vi, V.T.T. and Phuong, L.T.T. and Hoi, B.D. and Hoa, L.T. and Hieu, N.N. and Phuc, H.V. and Khang, P.D. (2020) Electronic structure and band alignment of Blue Phosphorene/Janus ZrSSe heterostructure: A first principles study. Physica E: Low-Dimensional Systems and Nanostructures, 124: 114369. ISSN 13869477
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In this work, we construct the BlueP/ZrSSe heterostructure and explore systematically its electronic characteristics and interface features in the framework of first principles calculations. The stacking and electric field effects on the interface characters of BlueP/ZrSSe heterostructure are also considered. We find that the BlueP layer interacts with Janus ZrSSe layer via the weak van der Waals forces, which keeps the BlueP/ZrSSe heterostructure feasible. Both the BlueP/SZrSe and BlueP/SeZrS heterostructures possess indirect semiconductor and exhibits type-I band alignment. Furthermore, electric field can tune the band alignment and switch the BlueP/ZrSSe heterostructure from semiconductor to metal. These findings could provide a helpful guidance for using BlueP/ZrSSe heterostructure in practical applications of nanoelectronics and optoelectronics. © 2020
| Item Type: | Article |
|---|---|
| Divisions: | Faculties > Faculty of Mechanical Engineering |
| Identification Number: | 10.1016/j.physe.2020.114369 |
| Uncontrolled Keywords: | Alignment; Calculations; Electric field effects; Electric switches; Electronic structure; Heterojunctions; Phosphorus compounds; Selenium compounds; Van der Waals forces; Zirconium compounds; Band alignments; Electronic characteristics; First-principles calculation; First-principles study; Indirect semiconductor; Interface characters; Type i band alignments; Sulfur compounds |
| Additional Information: | Language of original document: English. |
| URI: | http://eprints.lqdtu.edu.vn/id/eprint/8923 |
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