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Radial-breathing Mode Frequencies for Single-Walled Carbon Nanotubes of Arbitrary Chirality: First-Principles Calculations

Published online by Cambridge University Press:  26 February 2011

Hadley Mark Lawler ,
D. Areshkin ,
J.W. Mintmire  and
C.T. White
Hadley Mark Lawler
Affiliation:
lawler@alchemy.nrl.navy.mil, Naval Research Laboratory, Chemistry Division, 4555 Overlook Ave. Sw, Washington, D.C., 20375, United States, 202-767-2160
D. Areshkin
Affiliation:
denis.areshkin@nrl.navy.mil
J.W. Mintmire
Affiliation:
john.mintmire@okstate.edu
C.T. White
Affiliation:
carter.white@nrl.navy.mil
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Abstract

First-principles calculations are performed for the radial-breathing mode of all 105 single-walled carbon nanotubes within the rolling-geometry diameter range of 0.4 to 1.4 nm. The diameter dependence of the frequencies is analyzed in some detail, and compared with measurable parameters of bulk graphite. The frequencies are compared with those available from other first-principles work, and experimental studies.

Keywords

elastic propertiesnanostructureRaman spectroscopy
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 899: Symposium N – Dynamics in Small Confining Systems VIII , 2005 , 0899-N07-25
Copyright
Copyright © Materials Research Society 2006

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References

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