Exploring electro-optical properties of novel two-dimensional disilicon carbide through strain engineering

Based on theoretical calculations (PBE + G(0)W(0) + BSE), novel two-dimensional bisilicon carbide (Si2C) monolayer is systematically investigated under biaxial strains. The stability of pristine Si2C monolayer has been confirmed by its phonon spectrum, and its dynamic stability can be kept across a broad strain range. The explored monolayer exhibiting a buckling configuration is predicted to be an indirect semiconductor with a moderate energy gap. The nature and magnitude of the bandgap can be significantly modulated through strain engineering, wherein a tensile strain of + 3.2% induces an indirect-direct bandgap transition. In addition, pristine Si2C monolayer shows a significant light absorption (> 10(6) cm(-1)) for the visible part of incident solar radiation. Tensile strain can induce a prominent red-shift in the optical spectrum and significantly enhance near-infrared light absorption. As a result, the strain-tuned properties of novel Si2C monolayer render it a promising semiconductor for optoelectronic applications. [GRAPHICS]