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CNTbands

By Youngki Yoon1, Diego Kienle2, james k fodor3, Gengchiau Liang2, Akira Matsudaira4, Gerhard Klimeck2, Jing Guo3

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

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

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This tool version is unpublished and cannot be run.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 2.1
Published on 10 Jan 2008, unpublished on 29 Jun 2009
Latest version: 2.7.1. All versions

doi:10.4231/D37S7HR8T cite this

This tool is closed source.

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Abstract

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.

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