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.

Teaching Materials (1-20 of 22)

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

    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...

  2. ABACUS: Test for Bandstructure Lab

    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.

  3. ABINIT: First-Time User Guide

    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 "simulate") as...

  4. ACUTE - Bandstructure Assignment

    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. Band Structure Calculation: General Considerations

    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...

  6. Band Structure Lab Exercise

    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...

  7. Band Structure Lab: First-Time User Guide

    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...

  8. CNTbands: First-Time User Guide

    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

  9. Computational Electronics HW - Bandstructure Calculation

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

    www.eas.asu.edu/~vasileskNSF

  10. Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids

    30 Apr 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin

    In this class we briefly review band structures and then spend most of our class on in-class simulations. Here we use the DFT for molecules and solids (Siesta) course toolkit. We cover a variety of solids, optimizing structures, testing k-point convergence, computing cohesive energies, and...

  11. Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

    13 Feb 2008 | | Contributor(s):: Jeffrey C Grossman, Elif Ertekin

    In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...

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

    04 Aug 2010 | | Contributor(s):: Dragica Vasileska

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

  13. Empirical Pseudopotential Method: Theory and Implementation

    16 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

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

    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

  15. Homework Assignment: Periodic Potentials

    31 Jan 2008 | | Contributor(s):: David K. Ferry

    Using the Periodic Potential Lab on nanoHUB determine the allowed bands for an energy barrier of 5 eV, a periodicity W = 0.5nm, and a barrier thickness of 0.1nm. How do these bands change if the barrier thickness is changed to 0.2 nm?

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

    27 Jan 2010 | | Contributor(s):: Mohamed Mohamed

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

  17. Nanotechnology Animation Gallery

    20 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 available Featured nanoHUB tools: Band Structure Lab. Carrier...

  18. Periodic Potential Lab: First-Time User Guide

    05 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...

  19. Periodic Potentials and Bandstructure: an Exercise

    02 Jul 2008 | | Contributor(s):: Dragica Vasileska, Gerhard Klimeck

    This exercise teaches the students that in the case of strong coupling between the neighboring wells in square and Coulomb periodic potential wells electrons start to behave as free electrons and the gaps that open at the Brillouin zone boundaries become smaller and smaller (thus recovering the...

  20. Periodic Potentials and the Kronig-Penney Model

    01 Jul 2008 | | Contributor(s):: Dragica Vasileska

    This material describes the derivation of the Kronig-Penney model for delta-function periodic potentials.