First principles study on the electronic properties and Schottky barrier of Graphene/InSe heterostructure
| Autor: | Bui D. Hoi, Chuong V. Nguyen, Nguyen N. Hieu, Huynh V. Phuc, El Mustapha Feddi, Victor V. Ilyasov, Khang D. Pham, Nguyen V. Thuan |
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| Rok vydání: | 2018 |
| Předmět: |
Materials science
Band gap Schottky barrier Stacking Physics::Optics 02 engineering and technology 01 natural sciences law.invention Physics::Fluid Dynamics Condensed Matter::Materials Science law 0103 physical sciences Monolayer Physics::Atomic and Molecular Clusters General Materials Science Symmetry breaking Electrical and Electronic Engineering 010306 general physics business.industry Graphene Heterojunction Condensed Matter::Mesoscopic Systems and Quantum Hall Effect 021001 nanoscience & nanotechnology Condensed Matter Physics Optoelectronics Density functional theory 0210 nano-technology business |
| Zdroj: | Superlattices and Microstructures. 122:570-576 |
| ISSN: | 0749-6036 |
| DOI: | 10.1016/j.spmi.2018.06.049 |
| Popis: | Graphene-based van der Waals heterostructures by stacking graphene on other two-dimensional materials have recently attracted much attention due to their extraordinary properties and greatly extend the applications of the parent materials. By means of the density functional theory from first-principles calculations, in this work, the electronic properties and Schottky contact of the Graphene/InSe heterostructure, together with the effect of strain, are investigated systematically. Our results show that in the graphene/InSe heterostructure, graphene is very weakly bound to the InSe monolayer. Furthermore, we find that due to the sublattice symmetry breaking, a tiny band gap of 5 meV is opened in the graphene/InSe heterostructure, making it suitable for applications in electronic and optoelectronic devices. Moreover, we also find that the n-type Schottky contact is formed in the graphene/InSe heterostructure with a very small Schottky barrier height of 0.05 eV. The Schottky barrier height as well as Schottky contact types in the graphene/InSe heterostructure could be controlled by vertical strain applied perpendicularly to the heterostructure. When the interlayer distance between graphene and the topmost InSe monolayer is smaller than 2.40 A, one can observe a transformation of the Schottky contact of the graphene/InSe heterostructure. Our results may provide helpful information for designing novel high-performance graphene-based van der Waals heterostructures and explore their potential applications in future nanoelectronic and optoelectronic devices. |
| Databáze: | OpenAIRE |
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