Spontaneous twisting and shrinking of carbon nanotubes

Abstract

Deformations of single-wall carbon nanotubes are investigated within the tight-binding model with deformation-dependent hopping energies. We show that the nanotubes tend to twist and shrink spontaneously at zero temperature. The explicit values of the deformation parameters are computed for a wide range of nanotubes with varying diameter and chirality. The changes of the spectral gap associated with the spontaneous deformation are shown to depend on the chirality of the nanotubes.