Calculating the Structure of the Raman D Band of Bundles of Single-Wall Carbon Nanotubes

摘要

Measured D bands of bundles of single wall carbon nanotubes have a fine structure. The D band is well reproduced using the double resonance theory for four different laser excitation energies. We provide and discuss a comparison of calculated results obtained from different methods: a simple but effective model phonon dispersion versus a DFT phonon dispersion, and the well known tight binding electron dispersion versus a DFT electron dispersion.