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.
A symmetrized-basis approach to excitons in carbon nanotubes / Bussi, G.; Chang, E.; Ruini, A.; Molinari, E.. - 772:1(2005), pp. 1025-1026. (Intervento presentato al convegno 27th International Conference on the Physics of Semiconductors - ICPS-27) [10.1063/1.1994460].
A symmetrized-basis approach to excitons in carbon nanotubes
Bussi, G.;
2005-01-01
Abstract
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.| File | Dimensione | Formato | |
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