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

Published online by Cambridge University Press:  15 March 2011

Guido Satta ,
Giancarlo Cappellini  and
Francesco Casula
Guido Satta
Affiliation:
INFM and Dipartimento di Fisica, Università di Cagliari, I-09042 Cagliari, Italy
Giancarlo Cappellini
Affiliation:
INFM and Dipartimento di Fisica, Università di Cagliari, I-09042 Cagliari, Italy
Francesco Casula
Affiliation:
INFM and Dipartimento di Fisica, Università di Cagliari, I-09042 Cagliari, Italy
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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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 703: Symposia U/V – Nanophase and Nanocomposite Materials IV , 2001 , V3.1
Copyright
Copyright © Materials Research Society 2002

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