| Autor: |
Bafekry A; Department of Radiation Application, Shahid Beheshti University, 19839 69411 Tehran, Iran. bafekry.asad@gmail.com., Faraji M, Fadlallah MM, Jappor HR, Karbasizadeh S, Ghergherehchi M, Sarsari IA, Ziabari AA |
| Jazyk: |
angličtina |
| Zdroj: |
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2021 Sep 14; Vol. 23 (34), pp. 18752-18759. Date of Electronic Publication: 2021 Aug 19. |
| DOI: |
10.1039/d1cp02590b |
| Abstrakt: |
In this work, motivated by the fabrication of an AlSb monolayer, we have focused on the electronic, mechanical and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures, employing the density functional theory approach. The phonon band structure and cohesive energy confirm the stability of the XSb (X = Al and In) monolayers. The mechanical properties reveal that the XSb monolayers have a brittle nature. Using the GGA + SOC (HSE + SOC) functionals, the bandgap of the AlSb monolayer is predicted to be direct, while InSb has a metallic character using both functionals. We find that XSb (X = Al, In) two-dimensional bodies can absorb ultraviolet light. The present findings suggest several applications of AlSb and InSb monolayers in novel optical and electronic usages. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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