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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.

Teaching Materials (1-20 of 25)

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

    Teaching Materials | 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...

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

    Teaching Materials | 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...

  3. Using DFT to Simulate the Band Structure and Density of States of Crystalline Materials

    Teaching Materials | 23 Aug 2017 | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois

    In this activity, DFT is used to simulate the band structure and density of states of several crystalline semiconductors.  Users are instructed in how to use the Bilbao Crystallographic Server to select a path through the Brillouin zone for each structure. This activity is adapted from an...

  4. ACUTE - Bandstructure Assignment

    Teaching Materials | 07 Jul 2011 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    This is assignment that is part of the ACUTE tool-based curricula that guides the students step by step how to implement an empirical pseudopotential method for the bandstructure calculation.

  5. ABACUS: Test for Bandstructure Lab

    Teaching Materials | 10 Aug 2010 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    This is a test that examines ones understanding of electronic structure once he/she has gone through the materials and exercises provided on the nanoHUB as part of the ABACUS Bandstructure topic page and running the Bandstructure Lab.

  6. Description of the K.P Method for Band Structure Calculation

    Teaching Materials | 05 Aug 2010 | Contributor(s):: Dragica Vasileska

    This set of slides describes the k.p mehod for band structure calculation.

  7. ABACUS Exercise: Bandstructure – Kronig-Penney Model and Tight-Binding Exercise

    Teaching Materials | 20 Jul 2010 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    The objective of this exercise is to start with the simple Kronig-Penney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D periodic potentials. The second exercise examines the behavior of the bands at the Brillouin zone...

  8. Band Structure Lab Exercise

    Teaching Materials | 28 Jun 2010 | Contributor(s):: Gerhard Klimeck, Parijat Sengupta, Dragica Vasileska

    Investigations of the electron energy spectra of solids form one of the most active fields of research. Knowledge of band theory is essential for application to specific problems such as Gunn diodes, tunnel diodes, photo-detectors etc. There are several standard methods to compute the band...

  9. Tight-Binding Band Structure Calculation Method

    Teaching Materials | 08 Jun 2010 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    This set of slides describes on simple example of a 1D lattice, the basic idea behind the Tight-Binding Method for band structure calculation.

  10. Band Structure Calculation: General Considerations

    Teaching Materials | 17 May 2010 | Contributor(s):: Dragica Vasileska

    This set of slides explains to the users the concept of valence vs. core electrons, the implications of the adiabatic approximation on the separation of the total Hamiltonian of the system and the mean-field approximation used in ab initio bandstructure approaches. It then gives systematic...

  11. Empirical Pseudopotential Method: Theory and Implementation

    Teaching Materials | 17 May 2010 | Contributor(s):: Dragica Vasileska

    This tutorial first teaches the users the basic theory behind the Empirical Pseudopotential (EPM)Bandstructure Calculation method. Next, the implementation details of the method are described and finally a MATLAB implementation of the EPM is provided.vasileska.faculty.asu.eduNSF

  12. Nanotechnology Animation Gallery

    Teaching Materials | 22 Apr 2010 | Contributor(s):: Saumitra Raj Mehrotra, Gerhard Klimeck

    Animations and visualization are generated with various nanoHUB.org tools to enable insight into nanotechnology and nanoscience. Click on image for detailed description and larger image download. Additional animations are also...

  13. Illinois ECE 440: Diffusion and Energy Band Diagram Homework

    Teaching Materials | 28 Jan 2010 | Contributor(s):: Mohamed Mohamed

    This homework covers Diffusion of Carriers, Built-in Fields and Metal semiconductor junctions.

  14. CNTbands: First-Time User Guide

    Teaching Materials | 15 Jun 2009 | Contributor(s):: Xufeng Wang, Youngki Yoon

    This is a simple guide designed for first-time users of CNTbands. It gives a brief introduction of the tool and a series of tutorials to help users learn the basics of CNTbands.NCN@Purdue

  15. Band Structure Lab: First-Time User Guide

    Teaching Materials | 15 Jun 2009 | Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck

    This document provides useful information about Band Structure Lab. First-time users will find basic ideas about the physics behind the tool such as band formation, the Hamiltonian description, and other aspects. Additionally, we provide explanations of the input settings and the results of the...

  16. ABINIT: First-Time User Guide

    Teaching Materials | 09 Jun 2009 | Contributor(s):: Benjamin P Haley

    This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss the default simulation (what happens if you don't change any inputs, and just hit...

  17. Periodic Potential Lab: First-Time User Guide

    Teaching Materials | 07 Jun 2009 | Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck, SungGeun Kim, Lynn Zentner

    This document provides guidance to first-time users of the Periodic Potential Lab tool. It offers basic information about solutions to the Schröedinger Equation in case of periodic potential in 1 dimension (1D). This document also contains suggested exercises to help users run the tool and...

  18. Computational Electronics HW - Bandstructure Calculation

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    Teaching Materials | 11 Jul 2008 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    www.eas.asu.edu/~vasileskNSF

  19. Energy Bands as a Function of the Geometry of the n-Well Potential: an Exercise

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    Teaching Materials | 05 Jul 2008 | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    Explores the position and the width of the bands as a function of the 10-barrier potential parameters. NSF

  20. Tutorial on Semi-empirical Band Structure Methods

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    Teaching Materials | 06 Jul 2008 | Contributor(s):: Dragica Vasileska

    This tutorial explains in details the Empirical Pseudopotential Method for the electronic structure calculation, the tight-binding method and the k.p method. For more details on the Empirical Pseudopotential Method listen to the following presentation:Empirical Pseudopotential Method Described...