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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

This tool simulates E-k and DOS of CNTs and graphene 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This tool version is unpublished and cannot be run.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 2.5
Published on 05 May 2010
Latest version: 2.7.1. All versions

doi:10.4231/D3K35MD3M cite this

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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 2.5 includes (1) treatment of spin polarization along the zigzag edges of GNRs and (2) edge bond relaxation effect for armchair GNRs.


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

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