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Tags: band structure


In solid-state physics, the electronic band structure of a solid describes ranges of energy that an electron is "forbidden" or "allowed" to have. It is a function of the diffraction of the quantum mechanical electron waves in the periodic crystal lattice with a specific crystal system and Bravais lattice. The band structure of a material determines several characteristics, in particular its electronic and optical properties. More information on Band structure can be found here.

Tools (1-16 of 16)

  1. DFT Material Properties Simulator

    21 Jul 2015 | Tools | Contributor(s): Usama Kamran, David M Guzman, Alejandro Strachan

    Compute electronic and mechanical properties of materials from DFT calculations with 1-Click

  2. Berkeley GW

    27 Sep 2009 | Tools | Contributor(s): Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton

    This is an educational tool that illustrates the calculation of the electronic structure of materials using many-body perturbation theory within the GW approximation

  3. nanoMATERIALS SeqQuest DFT

    04 Feb 2008 | Tools | Contributor(s): Ravi Pramod Kumar Vedula, Greg Bechtol, Benjamin P Haley, Alejandro Strachan

    DFT calculations of materials


    05 Mar 2008 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton

    Use SIESTA to perform electronic structure calculations

  5. Thermoelectric Power Factor Calculator for Superlattices

    18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using Non-Equilibrium Green's Functions

  6. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | Tools | Contributor(s): Terence Musho, Greg Walker

    Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in a 2D Nanocrystalline Composite Structure using Non-Equilibrium Green's Functions

  7. 1D Heterostructure Tool

    04 Aug 2008 | Tools | Contributor(s): Arun Goud Akkala, Sebastian Steiger, Jean Michel D Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Christoph Kubis, Hong-Hyun Park, Samarth Agarwal, Gerhard Klimeck, James Fonseca, Archana Tankasala, Kuang-Chung Wang, Chin-Yi Chen

    Poisson-Schrödinger Solver for 1D Heterostructures

  8. AQME - Advancing Quantum Mechanics for Engineers

    12 Aug 2008 | Tools | Contributor(s): Gerhard Klimeck, Xufeng Wang, Dragica Vasileska

    One-stop-shop for teaching quantum mechanics for engineers

  9. ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors

    16 Jul 2008 | Tools | Contributor(s): Xufeng Wang, Dragica Vasileska, Gerhard Klimeck

    One-stop-shop for teaching semiconductor device education

  10. MIT Atomic Scale Modeling Toolkit

    15 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley

    Tools for Atomic Scale Modeling

  11. Simple Photonic Crystals

    16 Aug 2007 | Tools | Contributor(s): Jing Ouyang, Xufeng Wang, Minghao Qi

    Photonic Crystal characteristics in an easy way

  12. StrainBands

    15 Jun 2007 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler

    Explore the influence of strain on first-principles bandstructures of semiconductors.

  13. CNTbands

    14 Dec 2006 | Tools | Contributor(s): Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed

    This tool simulates E-k and DOS of CNTs and graphene nanoribbons.

  14. CNTphonons

    30 May 2006 | Tools | Contributor(s): Marcelo Alejandro Kuroda, Salvador Barraza-Lopez, J. P. Leburton

    Calculates the phonon band structure of carbon nanotubes using the force constant method.

  15. CNT_bands

    09 Sep 2005 | Tools | Contributor(s): Jing Guo, Akira Matsudaira

    Computes E(k) and the density-of-states (DOS) vs. energy for a carbon nanotube

  16. MSL Simulator

    17 Jun 2005 | Tools | Contributor(s): K. J. Cho

    Easy-to-use interface for designing and analyzing electronic properties of different nano materials, 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.