Skip to main content

Vibrational Properties of Single-Wall Carbon Nanotubes: A First-Principles Study

Buy Article:

$113.00 plus tax (Refund Policy)

We present first-principles pseudopotential-based density functional theory (DFT) calculation of structures, full phonon dispersions and thermal properties of armchair single wall armchair carbon nanotubes (SWCNTs) in the isolated and bundle forms. Comparison between the properties of isolated and bundled nanotubes is used to estimate the intertube interaction. We determine correlation between vibrational modes of a graphene sheet and of the nanotube to understand how rolling of the sheet results in mixing between modes and changes in vibrational spectrum. The radial breathing mode hardens with increasing diameter (or decreasing curvature). We estimate thermal expansion coefficient of nanotubes within a quasiharmonic approximation and identify the modes that dominate thermal expansion of some of these SWCNTs both at low and high temperatures.
No Reference information available - sign in for access.
No Citation information available - sign in for access.
No Supplementary Data.
No Data/Media
No Metrics


Document Type: Research Article

Publication date: 2007-06-01

More about this publication?
  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
  • Editorial Board
  • Information for Authors
  • Subscribe to this Title
  • Terms & Conditions
  • Ingenta Connect is not responsible for the content or availability of external websites
  • Access Key
  • Free content
  • Partial Free content
  • New content
  • Open access content
  • Partial Open access content
  • Subscribed content
  • Partial Subscribed content
  • Free trial content
Cookie Policy
Cookie Policy
Ingenta Connect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more