Uniaxial-stress effects on electronic properties of silicon carbide nanowires

First-principles calculations are performed to study the mechanical properties, electronic structure, and uniaxial-stress effects of β-SiC nanowires (NWs). It is found that the band gap of SiC NWs becomes larger as their diameter decreases because of the quantum confinement effect, but increases (decreases) slightly with increasing tensile (compressive) stress up to about 12 GPa. The calculated Young's modulus and tensile strength of SiC NWs are about 620 and 52 GPa, respectively, in accordance with the experimental data. The characteristics of their mechanical and electronic properties suggest that β-SiC NWs may be used in electronic composites as reinforcement nanomaterials or in nanoscale electronic/photoelectric devices under harsh environments.