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arXiv · 1609.07347

Spontaneous twisting and shrinking of carbon nanotubes

Vít Jakubský·Axel Pérez-Obiol
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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.

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Vít Jakubský, Axel Pérez-Obiol. 2016-09-23. Spontaneous twisting and shrinking of carbon nanotubes. https://doi.org/10.1103/physrevb.95.245431

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