The University of Southampton
University of Southampton Institutional Repository

A new analytical model for predicting SWCNT band-gap from geometrical properties

A new analytical model for predicting SWCNT band-gap from geometrical properties
A new analytical model for predicting SWCNT band-gap from geometrical properties
In the following paper we present a complete analytical model that predicts the band-gap (E-g) of Single-Walled Carbon nanotubes (SWCNTs) directly from their diameter (d) and chiral angle (theta). The proposed analytical model is based on two mathematical expressions that have been derived by curve-fitting the outcome generated from the third-nearest-neighbor Tight-Binding (TB) method in conjunction with the zone-folding technique. Tests performed on the model demonstrated that 82% of a set of both metallic and semiconducting CNTs were accurately distinguished. In addition, the maximum band-gap error recorded for the semiconducting tubes was 10%. The model was also verified against previously published experimental data where 17 out of 21 tubes were correctly predicted. Finally, it is shown that the proposed model computes Eg with a speed that is 10(5) times faster compared to the third-nearest-neighbor TB method with zone-folding. The outcome of this work offers a fast and accurate technique for engineers who are seeking to simulate CNT based devices and want to ascertain the CNT's electronic properties with respect to the geometrical variation manifested in their synthesis process.
211-214
IEEE
Shabrawy, K
38769c87-8140-4070-a127-2ef97de0deec
Maharatna, K
93bef0a2-e011-4622-8c56-5447da4cd5dd
Bagnall, DM
5d84abc8-77e5-43f7-97cb-e28533f25ef1
Al-Hashimi, BM
07b63fc2-98bc-4c01-a9f3-ffd458a1353f
Shabrawy, K
38769c87-8140-4070-a127-2ef97de0deec
Maharatna, K
93bef0a2-e011-4622-8c56-5447da4cd5dd
Bagnall, DM
5d84abc8-77e5-43f7-97cb-e28533f25ef1
Al-Hashimi, BM
07b63fc2-98bc-4c01-a9f3-ffd458a1353f

Shabrawy, K, Maharatna, K, Bagnall, DM and Al-Hashimi, BM (2008) A new analytical model for predicting SWCNT band-gap from geometrical properties. In 2008 IEEE International Conference on Integrated Circuit Design and Technology and Tutorial. IEEE. pp. 211-214 . (doi:10.1109/ICICDT.2008.4567281).

Record type: Conference or Workshop Item (Paper)

Abstract

In the following paper we present a complete analytical model that predicts the band-gap (E-g) of Single-Walled Carbon nanotubes (SWCNTs) directly from their diameter (d) and chiral angle (theta). The proposed analytical model is based on two mathematical expressions that have been derived by curve-fitting the outcome generated from the third-nearest-neighbor Tight-Binding (TB) method in conjunction with the zone-folding technique. Tests performed on the model demonstrated that 82% of a set of both metallic and semiconducting CNTs were accurately distinguished. In addition, the maximum band-gap error recorded for the semiconducting tubes was 10%. The model was also verified against previously published experimental data where 17 out of 21 tubes were correctly predicted. Finally, it is shown that the proposed model computes Eg with a speed that is 10(5) times faster compared to the third-nearest-neighbor TB method with zone-folding. The outcome of this work offers a fast and accurate technique for engineers who are seeking to simulate CNT based devices and want to ascertain the CNT's electronic properties with respect to the geometrical variation manifested in their synthesis process.

This record has no associated files available for download.

More information

Published date: 2008
Organisations: Nanoelectronics and Nanotechnology, Electronic & Software Systems

Identifiers

Local EPrints ID: 269450
URI: http://eprints.soton.ac.uk/id/eprint/269450
PURE UUID: a4d7769b-ce5b-47ec-b93a-431d3b0a253d

Catalogue record

Date deposited: 21 Apr 2010 07:46
Last modified: 15 Mar 2024 21:47

Export record

Altmetrics

Contributors

Author: K Shabrawy
Author: K Maharatna
Author: DM Bagnall
Author: BM Al-Hashimi

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton: eprints@soton.ac.uk

ePrints Soton supports OAI 2.0 with a base URL of http://eprints.soton.ac.uk/cgi/oai2

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.

×