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.

预测具有特殊电子和光学特性的新材料可以被认为是设计新的潜在应用的有效程序。在本文中，通过使用密度泛函理论（DFT），从理论上预测了一种新的二维碳化锑结构。我们基于DFT的模拟表明，所提出的单层在能量，动力学和热方面均稳定。通过对其物理性质的进一步研究，发现Sb ₂ C单层是一种间接半导体，其有趣的电子和光学性质可以通过双轴外部应变有效地调节，并在新的电子技术中具有潜在的应用。