First-principles study of band-gap change in deformed nanotubes

Abstract

The effects of cross-sectional deformation and bending on the electronic structures of single-wall carbon nanotubes (SWNTs) are examined. Upon increasing the deformation, semiconducting SWNTs undergo semiconductor-metal transition, and the conduction band and valence band show asymmetric response to the deformation. The metallic tubes’ electronic structures are relatively insensitive to similar mechanical deformation. Using the properties of deformed nanotubes, we propose a conceptual design of SWNT-based single-electron quantum-well devices.