Electronic Properties of Peanut-Shaped Silicon Carbide Nanotubes: Impact of Curvature and Structural Deformation

We have investigated the impact of mechanical strain on the electronic properties of silicon carbide nanotubes (SiCNTs), with particular emphasis on strain-induced peanut-shaped radial deformation. By systematically reducing the semi-minor axis of the nanotube cross-section from 10.071 to 1.822 ?, we examined how this geometric change influences the electronic band structure, density of states (DOS), and total energy. Geometrical relaxations were performed at each deformation stage to ensure structural accuracy. Our results show a clear narrowing of the energy gap from 1.74 eV (pristine structure) to 0.25 eV (highly deformed structure), indicating a trend toward metallic behavior. Despite the reduction in band gap, the direct nature of the band gap was preserved throughout the deformation. Additionally, we observed a monotonic increase in total energy ? rising from ?178299.42 to ?178289.24 eV consistent with the accumulation of mechanical strain. These findings demonstrate that mechanical deformation can be a viable tool for tuning the electronic properties of SiCNTs, with promising applications in nanoelectronics and optoelectronic devices.