Optical and loss spectra of carbon nanotubes: depolarization effects and intertube interactions.
We performed ab initio calculations of the anisotropic dielectric response of small-diameter single-walled carbon nanotubes in the framework of time-dependent density-functional theory. The calculated optical spectra are in very good agreement with experiment, both concerning absolute peak positions and anisotropy effects. The latter can only be described correctly when crystal local-field effects ("depolarization" effects) are fully taken into account. Moreover, interactions between the tubes can strongly modify their absorption and electron energy-loss spectra.
Marinopoulos
A G
AG
Laboratoire des Solides Irradiés, UMR 7642 CNRS/CEA, Ecole Polytechnique, F-91128 Palaiseau, France.
Reining
Lucia
L
Rubio
Angel
A
Vast
Nathalie
N