Simulate E-k and DOS of CNTs and carbon nanoribbons.

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Archive Version 1.1
Published on 07 Jan 2008, unpublished on 10 Jan 2008 All versions

doi:10.4231/D3CJ87K2K cite this



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CNTbands v2.0 can simulate electronic band structure and density-of-states for carbon nanotubes (CNTs) and carbon nanoribbons (CNRs). It also computes some basic parameters, such as nanotube diameter, number of hexagons in the unit cell, band gap, etc.

Users may select the CNR structure to be simulated by selecting a starting point and components for a chiral vector.

CNTs are simulated either with a simple Pz orbital model or Extended Huckel theory. The Extended Huckel model can deliver more accurate simulation results, especially for small-diameter CNTs.


Thanks to the following people for their contributions to this work:

Youngki Yoon ... CNR Simulation Scripts
Diego Kienle ... Extended Huckel Theory Script
James Fodor ... Documentation
Jing Guo ... CNTbands
Akira Matsudaira ... Rappture code for CNTbands 1.0

This project was funded by the NSF Network for Computational Nanotechnology.

The original CNTbands 1.0 was written in 2002 by J. Guo of Purdue University. It was 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:

  • Gengchiau Liang; Gerhard Klimeck; Jing Guo; Akira Matsudaira; Youngki Yoon; James K Fodor; Diego Kienle (2014), "CNTbands," (DOI: 10.4231/D3CJ87K2K).

    BibTex | EndNote


  1. carbon nanotubes
  2. carbon nanotubes
  3. carbon nanotubes
  4. carbon nanotubes
  5. carbon nanotubes
  6. nanoelectronics
  7. nanoelectronics
  8. nanoelectronics
  9. nanoelectronics
  10. nanoelectronics
  11. band structure
  12. band structure
  13. band structure
  14. band structure
  15. band structure
  16. carbon nanoribbons
  17. carbon nanoribbons
  18. carbon nanoribbons
  19. carbon nanoribbons
  20. carbon nanoribbons
  21. nanotubes
  22. nanotubes
  23. nanotubes
  24. nanotubes
  25. nanotubes
  26. NCN Supported
  27. NCN Supported
  28. NCN Supported
  29. NCN Supported
  30. NCN Supported
  31. NCN@Purdue Supported
  32. NCN@Purdue Supported
  33. NCN@Purdue Supported
  34. NCN@Purdue Supported
  35. NCN@Purdue Supported
  36. open source tool
  37. materials science
  38. materials science
  39. materials science
  40. materials science
  41. materials science