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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.
ABACUS Exercise: Bandstructure – Kronig-Penney Model and Tight-Binding Exercise
20 Jul 2010 | Teaching Materials | 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...
ABACUS: Test for Bandstructure Lab
10 Aug 2010 | Teaching Materials | 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...
ABINIT: First-Time User Guide
09 Jun 2009 | Teaching Materials | 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...
ACUTE - Bandstructure Assignment
07 Jul 2011 | Teaching Materials | 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.
Band Structure Calculation: General Considerations
17 May 2010 | Teaching Materials | 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...
Band Structure Lab Exercise
28 Jun 2010 | Teaching Materials | 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...
Band Structure Lab: First-Time User Guide
15 Jun 2009 | Teaching Materials | 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,...
CNTbands: First-Time User Guide
15 Jun 2009 | Teaching Materials | 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.
Computational Electronics HW - Bandstructure Calculation
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11 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck
Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids
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30 Apr 2008 | Teaching Materials | 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...
Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing
13 Feb 2008 | Teaching Materials | 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...
Description of the K.P Method for Band Structure Calculation
05 Aug 2010 | Teaching Materials | Contributor(s): Dragica Vasileska
This set of slides describes the k.p mehod for band structure calculation.
Empirical Pseudopotential Method: Theory and Implementation
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...
Energy Bands as a Function of the Geometry of the n-Well Potential: an Exercise
05 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck
Explores the position and the width of the bands as a function of the 10-barrier potential parameters.
Homework Assignment: Periodic Potentials
31 Jan 2008 | Teaching Materials | 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...
Illinois ECE 440: Diffusion and Energy Band Diagram Homework
28 Jan 2010 | Teaching Materials | Contributor(s): Mohamed Mohamed
This homework covers Diffusion of Carriers, Built-in Fields and Metal semiconductor junctions.
Nanotechnology Animation Gallery
22 Apr 2010 | Teaching Materials | 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....
Periodic Potential Lab: First-Time User Guide
07 Jun 2009 | Teaching Materials | 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...
Periodic Potentials and Bandstructure: an Exercise
02 Jul 2008 | Teaching Materials | 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...
Periodic Potentials and the Kronig-Penney Model
01 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska
This material describes the derivation of the Kronig-Penney model for delta-function periodic potentials.