Improving Optical and Electronic Performance of Monolayer Silicon Carbide via Metal Doping

Two-dimensional SiC materials possess exceptional chemical reactivity and thermal stability, similar to graphene and silicone. Using first-principles computations, this work examines the electrical and optical characteristics of monolayer SiC and doped monolayer SiC with Ag, Co, Fe, and Pt. In monolayer SiC, the Si and C sites have distinctive electronic and optical characteristics, and their interactions with metal dopants result in a variety of electronic structural modifications. The performance of SiC-based electronic devices in semiconductor, optoelectronic, and photovoltaic applications must be optimized in light of these discoveries. SiC monolayer band gap and work function are impacted by doping, with Agdoped SiC showing the greatest reduction in band gap and work function. Doping, especially Ag doping at the C site, which exhibits the greatest absorption coefficient in the visible light spectrum, changes the absorption and reflectance characteristics of monolayer SiC. The loss function is also changed by doping, adding further information about its optical characteristics. This study emphasizes how electrical and optical properties may be modified by doping, providing opportunities for its use in a variety of optoelectronic devices.