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CNTbands

Computes E(k) and the density-of-states (DOS) vs. energy for a carbon nanotube

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Archive Version 1
Published on 18 Feb 2002 All versions

doi:10.4231/D3ZC7RT3K cite this

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Abstract

CNTbands is a Matlab script that computes E(k) and the density-of-states (DOS) vs. energy for a carbon nanotube specified by (n, m). It uses a simple model that treats the nanotube as a rolled up graphene sheet whose band structure is computed by a simple tight binding approach and assumes a single pi orbital per carbon atom. In addition to plotting E(k) and DOS(E), the script also computes some basic parameters of the nanotube such as
diameter, number of hexagons in the unit cell, etc.

Credits

CNTbands was written in 2002 by J. Guo of Purdue University. It is
based on a script by M. P. Anantram of NASA Ames Research Center and
the paper, L. Yang, M. P. Anantram, and J. P. Lu, "Band-gap change of
carbon nanotubes: Effect of small uniaxial and torsional strain
,"
Physical Review B, vol. 60, no. 29, pp. 13874-13878, 1999.

Cite this work

Researchers should cite this work as follows:

  • If you are using the tool for any publication, we request that you cite:

    1. Simulations were performed by CNTbands on http://nanohub.org

  • (2005), "CNTbands," https://nanohub.org/resources/cntbands. (DOI: 10.4231/D3ZC7RT3K).

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