We calculate from first-principles the optical spectrum of a (4,2) single-wall carbon nanotube including quasi-particle corrections and excitonic effects. We expand every quantity on a special basis sets which completely exploits the symmetries of the nanotube, allowing calculations for tubes with a long unit cell. The results indicate that the excitonic effects are crucial and a strong peak in the absorption spectrum is predicted at 2.2 eV This value is compared with experimental results, with excellent agreement.
|Titolo:||A symmetrized-basis approach to excitons in carbon nanotubes|
|Autori:||Bussi G; Chang E; Ruini A; Molinari E|
|Digital Object Identifier (DOI):||10.1063/1.1994460|
|Appare nelle tipologie:||2.1 Book chapter|