Abstract
[Display omitted]
•A new stable antimony carbide monolayer is predicted.•The predicted monolayer is thermodynamically, kinetically, and thermally is stable.•Sb2C monolayer has an indirect band gap of 0.90 eV (1.45 eV) by using PBE (HSE06) level of theory.•The electronic and optical properties of the Sb2C monolayer can be effectively engineered by strain effect.
To predict new materials with special electronic and optical properties can be considered as an effective procedure to design new potential applications. In this article by using density functional theory (DFT), a new two-dimensional structure of antimony carbide is theoretically predicted. Our DFT based simulations show that the proposed monolayer is energetically, kinetically, and thermally stable. By more investigation on its physical properties it is found that the Sb2C monolayer is an indirect semiconductor with interesting electronic and optical properties can be effectively modulated by biaxial external strains and has potential applications in new electronics technology.