The effect of a flattening distortion on the electronic properties of a semiconducting carbon nanotube is investigated through first-principles calculations. As a function of the mechanical deformation, electronic bandgap is reduced leading to a semiconductor-metal transition. However, further deformation reopens the bandgap and induces a metal-semiconductor transition. The semiconductor–metal transitions take place as a result of curvature-induced hybridization effects, and this finding can be applied to develop novel nano electro mechanical systems.

Issue Section:
Technical Papers
Keywords:
carbon nanotubes, density functional theory, elemental semiconductors, nanotechnology, deformation, electromechanical effects, energy gap, electrical conductivity transitions
Topics:
Carbon nanotubes, Deformation, Energy gap, Semiconductors (Materials), Metals, Nanotubes, Simulation
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