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Influence of packing on the vibrational properties of infinite and finite bundles of carbon nanotubes

AuthorsHenrard, Luc; Popov, Valentin N.; Rubio, Angel
Issue DateOct-2001
PublisherAmerican Physical Society
CitationPhysical Review B 64: 205403 (2001)
AbstractThe quantitative analysis of the vibrational properties of carbon nanotubes is a key issue for the interpretation of Raman experiments. In particular, a reliable characterization of the atomic structure of single-wall carbon nanotubes produced under various conditions is mainly based on the interpretation of low-frequency (100–300 cm-1) Raman spectra. In the present work, we analyze the influence of the packing of the tubes on these low-frequency modes. We find that the low-frequency spectra of crystals of single-wall carbon nanotubes present two intense Raman modes instead of a single fully symmetric A1g mode characteristic of isolated tubes. The second mode has a non-negligible intensity for crystals formed with nanotubes of radii larger than 7 Å. For finite number of tubes in a bundle, two breathinglike intense modes appear as a specific signature. Finally, our simulation for inhomogenous bundles made of a large number of tubes does not reveal any specific signature of the individual tubes in the low-frequency Raman spectra.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevB.64.205403
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