Band gap modulation of Si-C binary core/shell nanowires by composition and ratio

Core/shell nanowires (CSNWs) composed of Si, C, and SiC are promising systems for optoelectronic devices. Through computational investigations, we find that the band gaps (Eg) of these nanowires can be controlled not only by changing their composition, but also by adjusting the core/shell thickness ratio. For Si/SiC or SiC/C CSNWs with a fixed total number of layers, the dependence of Eg on the core/shell thickness ratio shows a bowing effect. Eg can be tuned from a few eV all the way to zero. These investigations provide direction for designing optoelectronic devices based on Earth-abundant elements.