Room temperature Peierls distortion in small radius nanotubes
D. Connetable, G. -M. Rignanese, J. -C. Charlier, Xavier Blase
Abstract
By means of ab initio simulations, we investigate the phonon band structure and electron-phonon coupling in small 4-Ådiameter nanotubes. We show that both the C(5,0) and C(3,3) tubes undergo above room temperature a Peierls transition mediated by an acoustical long-wavelength and an optical q=2kF phonons respectively. In the armchair geometry, we verify that the electron-phonon coupling parameter λ originates mainly from phonons at q=2kF and is strongly enhanced when the diameter decreases. These results question the origin of superconductivity in small diameter nanotubes.
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