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Electronic structure and band alignment of Blue Phosphorene/Janus ZrSSe heterostructure: A first principles study
- Source :
- Physica E: Low-dimensional Systems and Nanostructures. 124:114369
- Publication Year :
- 2020
- Publisher :
- Elsevier BV, 2020.
-
Abstract
- 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.
- Subjects :
- Materials science
Stacking
02 engineering and technology
Electronic structure
010402 general chemistry
01 natural sciences
Condensed Matter::Materials Science
symbols.namesake
chemistry.chemical_compound
Janus
business.industry
Heterojunction
Condensed Matter::Mesoscopic Systems and Quantum Hall Effect
021001 nanoscience & nanotechnology
Condensed Matter Physics
Atomic and Molecular Physics, and Optics
0104 chemical sciences
Electronic, Optical and Magnetic Materials
Phosphorene
Semiconductor
chemistry
Nanoelectronics
symbols
Optoelectronics
van der Waals force
0210 nano-technology
business
Subjects
Details
- ISSN :
- 13869477
- Volume :
- 124
- Database :
- OpenAIRE
- Journal :
- Physica E: Low-dimensional Systems and Nanostructures
- Accession number :
- edsair.doi...........2f0bbbf5b45259a21383c295549065f9