Spontaneous twisting and shrinking of carbon nanotubes
arXiv:1609.07347 · doi:10.1103/PhysRevB.95.245431
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.
7 pages, 6 figures
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