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Band Structure Lab

By Abhijeet Paul1, Mathieu Luisier1, Neophytos Neophytou2, raseong kim1, Michael McLennan1, Mark Lundstrom1, Gerhard Klimeck1

1. Purdue University 2. Technical University of Vienna

Computes the electronic structure of various materials in the spatial configuration of bulk (infinitely periodic), quantum wells (confined in one dimension, infinitely periodic in 2 dimensions), and wires (confined in 2 dimensions and infinitely...

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This tool version is unpublished and cannot be run.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 2.0.1
Published on 09 Sep 2008, unpublished on 26 Sep 2008
Latest version: 3.1.3. All versions

doi:10.4231/D3125Q85Q cite this

This tool is closed source.



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Bandstructure Lab uses the sp3s*d5 tight binding method to compute E(k) for bulk, planar, and nanowire semiconductors. Using this tool, you can quickly compute and visualize the bandstructures of bulk semiconductors, thin films, and nanowires for various materials, growth orientations, and strain conditions. Physical parameters such as the bandgap and effective mass can also be obtained from the computed E(k). The bandedges and effective masses of the bulk materials and the nanostructures structures can be analyzed as a function of various strain conditions.

As explained in a related seminar, correct band structure is essential for modeling devices at the nano scale.

Chapter 5 of Quantum Transport by S. Datta (Cambridge, 2005)

Starting from version 2.0, the tool is now powered by a C code named OMEN. All previous versions were coded in Matlab.

Version 2.0 is a radical new release of the code and we are aware of several issues that are not fully stable. We very much appreciate feedback if certain features of the tool do not function properly. The last 1.X version of Bandstructure Lab is still available at the following link: Bandstructure Lab Version 1.2 (published).

Known issues with Version 2.0:

bulk effective mass table is not correct for light, and heavy hole bands charge self-consistent calculation appears to be unstable for some devices nanowire dimensions exceeding 5-6nm in diameter appear to crash the simulations. More work is needed in the tool

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.