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Optimized technique for the calculation of carbon nanotube dispersion relationships

✍ Scribed by Marconcini, Paolo ;Macucci, Massimo

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
784 KB
Volume
204
Category
Article
ISSN
0031-8965

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✦ Synopsis

Abstract

The computation of the dispersion relations of carbon nanotubes can be optimized applying the zone‐folding technique only close to the graphene degeneration points. In order to achieve such an improvement, we propose a method that, using properly chosen unit vectors, allows to easily obtain the coordinates of the degeneration points inside the rectangular regions of the reciprocal space where the graphene dispersion relations are commonly cross‐sectioned. Finally, we show the results of the application of such a technique to the computation of the carbon nanotube energy bands. (Β© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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