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By Gengchiau Liang1, Gerhard Klimeck1, Jing Guo2, Akira Matsudaira3, Youngki Yoon4, james k fodor2, Diego Kienle1

1. Purdue University 2. University of Florida 3. University of Illinois at Urbana-Champaign 4. University of Waterloo

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

Launch Tool

This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.

Archive Version 1.1
Published on 07 Jan 2008, unpublished on 10 Jan 2008
Latest version: 2.7.1. All versions

doi:10.4231/D3CJ87K2K cite this

This tool is closed source.



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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.

Tags, a resource for nanoscience and nanotechnology, is supported by the National Science Foundation and other funding agencies. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation.