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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 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 California - Berkeley

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Published on 07 Jan 2008, unpublished on 10 Jan 2008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

doi:10.4231/D3CJ87K2K cite this

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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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