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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.
ECE 495N Lecture 20: Bandstructures III
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27 Oct 2008 | Online Presentations | Contributor(s): Supriyo Datta
Thermoelectric Power Factor Calculator for Nanocrystalline Composites
21 Oct 2008 | Tools | 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
1D Heterostructure Tool
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04 Sep 2008 | Tools | 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
AQME - Advancing Quantum Mechanics for Engineers
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21 Aug 2008 | Tools | Contributor(s): Gerhard Klimeck, Xufeng Wang, Dragica Vasileska
One-stop-shop for teaching quantum mechanics for engineers
ABACUS - Assembly of Basic Applications for Coordinated Understanding of Semiconductors
08 Aug 2008 | Tools | Contributor(s): Xufeng Wang, Dragica Vasileska, Gerhard Klimeck
One-stop-shop for teaching semiconductor device education
Computational Electronics HW - Bandstructure Calculation
11 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck
Energy Bands as a Function of the Geometry of the n-Well Potential: an Exercise
08 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.
Tutorial on Semi-empirical Band Structure Methods
08 Jul 2008 | Teaching Materials | 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...
Periodic Potentials and the Kronig-Penney Model
02 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska
This material describes the derivation of the Kronig-Penney model for delta-function periodic potentials.
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...
Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids
05 May 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...
The Novel Nanostructures of Carbon
28 Feb 2008 | Online Presentations | Contributor(s): Gene Dresselhaus
A brief review will be given of the physical underpinnings of carbon nanostructures that were developed over the past 60 years, starting with the electronic structure and physical properties of...
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...
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...
MIT Atomic-Scale Modeling Toolkit
24 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for Atomic-Scale Modeling
Engineering at the nanometer scale: Is it a new material or a new device?
06 Nov 2007 | Online Presentations | Contributor(s): Gerhard Klimeck
This seminar will overview NEMO 3D simulation capabilities and its deployment on the nanoHUB as well as an overview of the nanoHUB impact on the community.
MCW07 Impact of Porphyrin Functional Groups on InAs Gas Sensors
05 Nov 2007 | Online Presentations | Contributor(s): Michael Garcia
Porphyrin molecules are often used for sensor engineering to improve sensitivity and selectivity to specific analytes. It is important to understand how the porphyrin HOMO-LUMO levels deplete...
Simple Photonic Crystals
18 Sep 2007 | Tools | Contributor(s): Jing Ouyang, Xufeng Wang, Minghao Qi
Photonic Crystal characteristics in an easy way
MCW07 Electronic Level Alignment at Metal-Molecule Contacts with a GW Approach
05 Sep 2007 | Online Presentations | Contributor(s): Jeffrey B. Neaton
Most recent theoretical studies of electron transport in single-molecule junctions rely on a Landauer approach, simplified to treat electron-electron interactions at a mean-field level within...
A Tutorial for Nanoelectronics Simulation Tools
03 Jul 2007 | Online Presentations | Contributor(s): James K Fodor, Jing Guo
This learning module introduces nanoHUB users to some of the available simulators. The simulators discussed are FETToy, nanoMOS, Schred, CNTbands, and QDot Lab. For each simulator, a brief...