Tags: band structure

Description

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. 1D Heterostructure Tool

    04 Aug 2008 | | 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

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

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

    One-stop-shop for teaching semiconductor device education

  3. AQME - Advancing Quantum Mechanics for Engineers

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

    One-stop-shop for teaching quantum mechanics for engineers

  4. Berkeley GW

    27 Sep 2009 | | 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

  5. CNTbands

    14 Dec 2006 | | 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.

  6. CNTphonons

    30 May 2006 | | Contributor(s):: Marcelo Kuroda, Salvador Barraza-Lopez,

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

  7. CNT_bands

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

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

  8. DFT Material Properties Simulator

    21 Jul 2015 | | Contributor(s):: Gustavo Javier, Usama Kamran, David M Guzman, Alejandro Strachan, Peilin Liao

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

  9. MIT Atomic-Scale Modeling Toolkit

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

    Tools for Atomic-Scale Modeling

  10. MSL Simulator

    17 Jun 2005 | | Contributor(s):: Kyeongjae Cho

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

  11. nanoMATERIALS SeqQuest DFT

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

    DFT calculations of materials

  12. SIESTA

    05 Mar 2008 | | 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

  13. Simple Photonic Crystals

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

    Photonic Crystal characteristics in an easy way

  14. StrainBands

    15 Jun 2007 | | 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.

  15. Thermoelectric Power Factor Calculator for Nanocrystalline Composites

    18 Oct 2008 | | 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

  16. Thermoelectric Power Factor Calculator for Superlattices

    18 Oct 2008 | | 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