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

    10 Aug 2015 | Tools | Contributor(s): Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan

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


  2. Berkeley GW

    31 Jan 2011 | 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

    01 Feb 2010 | Tools | Contributor(s): Ravi Pramod Kumar Vedula, Greg Bechtol, Benjamin P Haley, Alejandro Strachan

    DFT calculations of materials



    15 Jun 2009 | 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

    08 Jan 2009 | 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

    21 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 Sep 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, Fan Chen

    Poisson-Schrödinger Solver for 1D Heterostructures


  8. AQME - Advancing Quantum Mechanics for Engineers

    21 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

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

    One-stop-shop for teaching semiconductor device education


  10. MIT Atomic Scale Modeling Toolkit

    24 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

    18 Sep 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

    01 Jun 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