biostudies-literatureUnknown13(1)Mohebpour MAUsing density functional theory and many-body perturbation theory, we systematically investigate the optoelectronic properties of AlSb monolayer, which has been recently synthesized by molecular beam epitaxy [ACS Nano 2021, 15, 5, 8184-8191]. After confirming the dynamical stability of the monolayer, we analyze its electronic properties at different levels of theory without (PBE, HSE03, HSE06) and with (G[Formula: see text]W[Formula: see text], GW[Formula: see text], and GW) electron-electron interaction. The results show that AlSb monolayer is a semiconductor with a direct quasiparticle band gap of 1.35 eV while its electronic structure is dominated by spin-orbit coupling. Also, we study the optical properties of the monolayer by solving the Bethe-Salpeter equation. In this regard, the efScientific reports9925https://www.ebi.ac.uk/biostudies/studies/S-EPMC10279747biostudies-literatureFirst-principles study on the electronic and optical properties of AlSb monolayer.PMC10279747Mohebpour MATagani MBfalseFirst-principles study on the electronic and optical properties of AlSb monolayer.Using density functional theory and many-body perturbation theory, we systematically investigate the optoelectronic properties of AlSb monolayer, which has been recently synthesized by molecular beam epitaxy [ACS Nano 2021, 15, 5, 8184-8191]. After confirming the dynamical stability of the monolayer, we analyze its electronic properties at different levels of theory without (PBE, HSE03, HSE06) and with (G[Formula: see text]W[Formula: see text], GW[Formula: see text], and GW) electron-electron interaction. The results show that AlSb monolayer is a semiconductor with a direct quasiparticle band gap of 1.35 eV while its electronic structure is dominated by spin-orbit coupling. Also, we study the optical properties of the monolayer by solving the Bethe-Salpeter equation. In this regard, the ef2023-01-01T00:00:00Z2023 Jun2025-04-26T09:05:00.114Z2025-02-19T03:56:21.812ZS-EPMC102797473733704910.1038/s41598-023-37081-5