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Quantum Mechanics: Periodic Potentials and Kronig-Penney Model

Band Structure Lab

This resource has a 10.0 Ranking

Ranking is calculated from a formula comprised of user reviews and usage statistics. Learn more ›

Usage Stats
Overall Period: Updated 21 Nov, 2008
Users: 1994
Jobs: 15120
Avg. exec. time: 8 mins
Reviews & Citations
Google/IEEE: updated 15 Apr, 2008
Avg. Review: 5.0 out of 5 stars
Citations: 7

1994 users, detailed statistics

3 reviews (Review this)

7 citations

3 questions (Ask a question)

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This tool is closed source.

Version 2.0.2 - published on 26 Sep, 2008
Contributor(s) Abhijeet Paul, Mathieu Luisier, Neophytos Neophytou, Raseong Kim, Michael McLennan, Mark Lundstrom, Gerhard Klimeck
Purdue University, West Lafayette
At a glance 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 periodic i
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Description 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
Powered by

OMEN

Credits

Bandstructure Lab is based on the tight binding model of Boykin and Klimeck, and builds on the work of several Ph.D. students and other researchers:



M. Luisier, A. Paul... Core C simulator, beginning with Version 2.0
A. Paul... GUI development and OMEN integration of version 2.0
M. Luisier, N. Neophytou, Y. Liu... Core Matlab simulator, prior to Version 2.0
A. Matsudaira, M. McLennan... GUI development of version 1.0
R. Kim... Led the integration effort of Version 1.0
J. Wang, N. Neophytou... Nanowire simulation theory
A. Rahman... Bulk and thin-film simulation theory
Sponsored by

NCN@Purdue, MSD FCRP, SRC

Cite this work

If you reference this work in a publication, please cite as follows:

  • For the tight-binding methodology:
    Gerhard Klimeck, Fabiano Oyafuso, Timothy B. Boykin, R. Chris Bowen, and Paul von Allmen, "Development of a Nanoelectronic 3-D (NEMO 3-D) Simulator for Multimillion Atom Simulations and Its Application to Alloyed Quantum Dots" (INVITED), Computer Modeling in Engineering and Science (CMES) Volume 3, No. 5 pp 601-642 (2002).
  • For nanowire model and results:
    Jing Wang, Anisur Rahman, Gerhard Klimeck and Mark Lundstrom, "Bandstructure and Orientation Effects in
    Ballistic Si and Ge Nanowire FETs", IEEE International Electron Devices Meeting (IEDM) Tech. Digest, pp. 537-540, Washington D. C., Dec. 5-7, 2005.
  • Paul, Abhijeet; Luisier, Mathieu; Neophytou, Neophytos; Kim, Raseong; McLennan, Michael; Lundstrom, Mark; Klimeck, Gerhard (2006), "Band Structure Lab," doi: 10254/nanohub-r1308.6.

    BibTex | EndNote

In addition, we would appreciate it if you would add the following acknowledgment to your publication:

  • Simulation services for results presented here were provided by the Network for Computational Nanotechnology (NCN) at nanoHUB.org

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  1. 5.0 out of 5 stars 

    Posted on 26 November, 2006 by Anonymous

  2. 5.0 out of 5 stars 

    Posted on 14 August, 2006 by Ali Khakifirooz

  3. 5.0 out of 5 stars 

    Posted on 26 May, 2006 by Jing Wang

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