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This section is unavailable in an archive version of a tool. Consult the latest published version 2.7.1 for most current information.

CNTbands

By Youngki Yoon1, james k fodor2, Jing Guo2, Akira Matsudaira3, Diego Kienle4, Gengchiau Liang4, Gerhard Klimeck4, Mark Lundstrom4

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

This tool simulates E-k and DOS of CNTs and graphene nanoribbons.

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Archive Version 2.2
Published on 29 Jun 2009
Latest version: 2.7.1. All versions

doi:10.4231/D39G5GD19 cite this

Open source: license | download

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Abstract

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


Users may select the GNR 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.


Tool versions Version 2.2 introduces numerical DOS calculation, to complement the numerical E-k calculation.


Please see the carbon nanotube and graphene nanoribbon topics page for more related nanoHUB resources.

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nanoHUB.org, 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.