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Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: A first-principles study
- Authors
- Bafekry, A.[Bafekry, A.]; Faraji, M.[Faraji, M.]; Fadlallah, M.M.[Fadlallah, M.M.]; Jappor, H.R.[Jappor, H.R.]; Karbasizadeh, S.[Karbasizadeh, S.]; Ghergherehchi, M.[Ghergherehchi, M.]; Sarsari, I.A.[Sarsari, I.A.]; Ziabari, A.A.[Ziabari, A.A.]
- Issue Date
- 14-Sep-2021
- Publisher
- Royal Society of Chemistry
- Citation
- Physical Chemistry Chemical Physics, v.23, no.34, pp.18752 - 18759
- Indexed
- SCIE
SCOPUS
- Journal Title
- Physical Chemistry Chemical Physics
- Volume
- 23
- Number
- 34
- Start Page
- 18752
- End Page
- 18759
- ISSN
- 1463-9076
- Abstract
- 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. © 2021 the Owner Societies.
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Related Researcher
- GHERGHEREHCHI, MITRA
- Information and Communication Engineering (Electronic and Electrical Engineering)