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 / G., Bussi; E., Chang; Ruini, Alice; Molinari, Elisa. - ELETTRONICO. - 772:(2005), pp. 1025-1026. ((Intervento presentato al convegno 27th International Conference on the Physics of Semiconductors (ICPS-27) tenutosi a Flagstaff, AZ nel 26-30 Luglio 2004.
A symmetrized-basis approach to excitons in carbon nanotubes
RUINI, Alice;MOLINARI, Elisa
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.
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
