Bafekry, Asadollah

Fadlallah, M.M.

Faraji, M.

Ghergherehchi, M.

Jappor, H.R.

Karbasizadeh, S.

Sarsari, I. Abdolhosseini

Ziabari, A. Abdolahzadeh

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

Institutional Repository Universiteit Antwerpen

Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study

Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study

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Institutional Repository Universiteit Antwerpen