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CNTbands
Computes E(k) and the density-of-states (DOS) vs. energy for a carbon nanotube
Launch Tool
Archive Version 1
Published on 18 Feb 2002 All versions
doi:10.4231/D3ZC7RT3K cite this
This tool is closed source.
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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.
diameter, number of hexagons in the unit cell, etc.
- a newer version is CNTbands 2.0
- Download Source Code
- Description of the model:
Band-gap change of carbon nanotubes: Effect of small uniaxial and torsional strain, Phys Rev B, 60(29), 13874-13878 (1999). - Good introduction to energy bands in CNTs:
"Physical Properties of Carbon Nanotubes," by R. Saito, G. Dresselhaus, and M. Dresselhaus, Imperial College Press (1998). - Some description of the value for the tight binding energy:
Structural and electronic properties of pentagon-heptagon pair defects in carbon nanotubes, Phys. Rev. B 53, 11108–11113 (1996). - Note that the graphene sheet model has limitations:
Metallic and
semiconducting narrow carbon nanotubes, by
I. Cabria, J. W. Mintmire, and C. T. White2, Phys Rev B,
67, p. 121406, 2003.
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
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If you are using the tool for any publication, we request that you cite:
- Simulations were performed by CNTbands on http://nanohub.org