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.

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  1. Interactive Modeling of Materials with Density Functional Theory Using the Quantum ESPRESSO Interface within the MIT Atomic Scale Modeling Toolkit

    22 Nov 2022 | | Contributor(s):: Enrique Guerrero

    We will explore the Quantum ESPRESSO interface within the MIT Atomic-Scale Modeling Toolkit with interactive examples. We will review the basics of density functional theory and then focus on the tool’s capabilities.

  2. A Guide to the MIT Atomic Scale Modeling Toolkit for nanoHUB.org

    22 Nov 2022 | | Contributor(s):: Enrique Guerrero

    This document is a guide to the Quantum ESPRESSO application within the >MIT Atomic Scale Modeling Toolkit The guide was designed to be presented as part II of the nanoHUB seminar “A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE) with the MIT...

  3. A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit

    07 Nov 2022 | | Contributor(s):: David Strubbe

    In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding,...

  4. ABACUS Bandstructure Models (Spring 2022)

    05 May 2022 | | Contributor(s):: Gerhard Klimeck

    In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers....

  5. How do you find the band gap size in MIT atomic modeling tool kit?

    Closed | Responses: 4

    https://nanohub.org/answers/question/2553

  6. Apr 27 2022

    nanoHUB Recitation Series for Semiconductor Education and Workforce Development: Bandstructure Models

    Abstract: In the third session, Dr. Gerhard Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic...

    https://nanohub.org/events/details/2172

  7. ABACUS Bandstructure Models (Winter 2021)

    21 Dec 2021 | | Contributor(s):: Gerhard Klimeck

    In the third session, Dr. Klimeck will give a brief overview of ABACUS and demonstrate several bandstructure tools. With these, students can explore the Standard Periodic Potential aka Kronig-Penney model as well as bandstructure formation by transmission through finite barriers...

  8. Dec 16 2021

    nanoHUB Recitation Series for Semiconductor Education: Bandstructure Models

    Series Information: Recent economic needs have re-kindled national and global interest in semiconductor devices and created an urgent need for  more semiconductor device engineers and...

    https://nanohub.org/events/details/2115

  9. Dec 01 2021

    nanoHUB Online Recitation Series for Semiconductor Education: ABACUS Overview and Crystal Structures

    Series Information: Recent economic needs have re-kindled national and global interest in semiconductor devices and created an urgent need for  more semiconductor device engineers and...

    https://nanohub.org/events/details/2112

  10. Jerome Rodriquez Halsell

    https://nanohub.org/members/339240

  11. OctopusPY: Tool for Calculating Effective Mass from Octopus DFT Bandstructures

    16 Aug 2021 | | Contributor(s):: Olivia M. Pavlic, Austin D. Fatt, Gregory T. Forcherio, Timothy A. Morgan, Jonathan Schuster

    OctopusPY is a Python package supporting manipulation and analytic processing of electronic band structure data generated by the density functional theory (DFT) software Octopus. In particular, this package imports Octopus-calculated band structure for a given material and...

  12. MIT Atomic-Scale Modeling Toolkit

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

    Tools for Atomic-Scale Modeling

  13. ME 697R Lecture 5.2: First Principles Method - Electronic Structure of Solids

    10 Sep 2019 | | Contributor(s):: Xiulin Ruan

  14. AQME Advancing Quantum Mechanics for Engineers

    Introduction to Advancing Quantum Mechanics for Engineers and Physicists “Advancing Quantum Mechanics for Engineers” (AQME) toolbox is an assemblage of individually authored tools...

    https://nanohub.org/wiki/aqme2

  15. Why the dielectric band dominates at low frequencies unlike the air band dominates at high frequencies in photonic crystal fiber band diagram??

    Closed | Responses: 0

    https://nanohub.org/answers/question/2172

  16. Bandstructure Effects in Nano Devices With NEMO: from Basic Physics to Real Devices and to Global Impact on nanoHUB.org

    08 Mar 2019 | | Contributor(s):: Gerhard Klimeck

    This presentation will intuitively describe how bandstructure is modified at the nanometer scale and what some of the consequences are on the device performance.

  17. MSEN 201 Lecture 16.3: Electrical Properties - Electronic Bands in Metals, Semiconductors, Insulators

    13 Feb 2019 | | Contributor(s):: Patrick J Shamberger

  18. MSEN 201 Lecture 16.4: Electrical Properties - Electronic Band Structure

    13 Feb 2019 | | Contributor(s):: Patrick J Shamberger

  19. Learning Module: Band Structure for Pure and Doped Silicon

    10 Dec 2018 | | Contributor(s):: Peilin Liao

    In this lab, students will learn to perform online density functional theory (DFT) simulations to compute band structures and density of states (DOS) for pure and doped Si using the DFT Material Properties Simulator available on nanoHUB. The students will work with crystalline pure and doped...

  20. Electronic Structure and Transport Properties of Graphene on Hexagonal Boron Nitride

    06 Dec 2018 | | Contributor(s):: Shukai Yao, Luis Regalado Bermejo, Alejandro Strachan

      Graphene is a zero-bandgap conductor with high carrier mobility. It is desired to search for an opening of band structure of graphene such that this kind of material can be applied in electronic devices. Depositing hexagonal Boron Nitride (h-BN) opens a bandgap in the band structure of...