First principles study of single-layer SnSe2 under biaxial strain and electric field: Modulation of electronic properties
| Autor: | Chuong V. Nguyen, Huynh V. Phuc, Hamad Rahman Jappor, Le Minh Bui, Le C. Nhan, Pham C. Dinh, Le T.T. Phuong, Nguyen V. Hieu, Nguyen Q. Cuong, Bui D. Hoi, Nguyen N. Hieu, Nguyen Dinh Hien |
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| Rok vydání: | 2019 |
| Předmět: |
Materials science
Condensed matter physics business.industry Band gap Thermodynamic equilibrium Fermi level 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Condensed Matter::Materials Science symbols.namesake Strain engineering Semiconductor Atomic orbital Electric field symbols Density functional theory 0210 nano-technology business |
| Zdroj: | Physica E: Low-dimensional Systems and Nanostructures. 111:201-205 |
| ISSN: | 1386-9477 |
| DOI: | 10.1016/j.physe.2019.03.025 |
| Popis: | In this study, we investigate systematically the effect of strain engineering and electric field on electronic properties of single-layer SnSe 2 using density functional theory . Our calculated results indicate that the single-layer SnSe2 is a semiconductor with a small band gap of 0.715 eV at the equilibrium state. The electronic states near the Fermi level are mainly contributed by Sn- d and Se-p orbitals, especially the contribution of the Se-p orbital to the valence band is dominant. Under biaxial strain, the band gap of the single-layer SnSe2 changes abnormally. While compressive biaxial strain reduces band gap rapidly, the band gap of the single-layer SnSe2 only increases slightly when increasing the tensile biaxial strain. In contrast to the strain-dependence case, the influence of the external electric field on the electronic properties of the single-layer SnSe2 is quite small and the energy gap of the single-layer SnSe2 does not depend on the direction of the perpendicular electric field. Our calculated results can provide more information for application possibility of the single-layer SnSe2 in nanoelectronic devices. |
| Databáze: | OpenAIRE |
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