Theoretical Raman intensity of the radial breathing mode of single-walled carbon nanotubes

Abstract

The atomistic calculations of the physical properties of perfect single-walled carbon nanotubes can be performed successfully by use of the helical symmetry of the nanotubes. The efficiency of this approach is illustrated by calculations of the electronic band structure, lattice dynamics, and the resonant Raman intensity of the radial-breathing mode for all nanotubes in the diameter range from 0.6 nm to 2.4 nm within a symmetry-adapted nonorthogonal tight-binding model. It is shown that the derived electron-phonon coupling and the Raman intensity are in fair agreement with recent Raman data on individual nanotubes. © 2007 WILEY-VCH Verlag GmbH & Co. KGaA.