Since their discovery carbon nanotubes have attracted much interest for their peculiar electronic properties which go from metalic to semiconducting behaviour, depending both on diameter and chirality. The exact vaue of their band gap is obviously a crucial point to be addressed because it enters in the nanotube application as microelectronic devices. By making use of an efficient GW scheme, previousy tested on bulk systems, as well as of a model screening function, we obtained for the first time excitation energies and band-gap vaues for carbon nanotubes. Results for (6,0) and (7,0) will be presented and discussed.

Self-Energy corrections to DFT-LDA Gaps of Realistic Carbon Nanotubes

CAPPELLINI, GIANCARLO;CASULA, FRANCESCO
2002-01-01

Abstract

Since their discovery carbon nanotubes have attracted much interest for their peculiar electronic properties which go from metalic to semiconducting behaviour, depending both on diameter and chirality. The exact vaue of their band gap is obviously a crucial point to be addressed because it enters in the nanotube application as microelectronic devices. By making use of an efficient GW scheme, previousy tested on bulk systems, as well as of a model screening function, we obtained for the first time excitation energies and band-gap vaues for carbon nanotubes. Results for (6,0) and (7,0) will be presented and discussed.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11584/99249
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? ND
social impact