Room temperature Peierls distortion in small radius nanotubes

Abstract

By means of {\it 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 $q=2k_F$ phonons respectively. In the armchair geometry, we verify that the electron-phonon coupling parameter $\lambda$ originates mainly from phonons at $q=2k_F$ and is strongly enhanced when the diameter decreases. These results question the origin of superconductivity in small diameter nanotubes.

submitted 21oct2004 accepted 6jan2005 (Phys.Rev.Lett.)

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