
Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 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 NonEquilibrium Green's Functions
http://nanohub.org/resources/5603

1D Heterostructure Tool
04 Aug 2008  Tools  Contributor(s): Arun Goud Akkala, Sebastian Steiger, Jean Michel D Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Christoph Kubis, HongHyun Park, Samarth Agarwal, Gerhard Klimeck
PoissonSchrödinger Solver for 1D Heterostructures
http://nanohub.org/resources/5203

AQME  Advancing Quantum Mechanics for Engineers
12 Aug 2008  Tools  Contributor(s): Gerhard Klimeck, Xufeng Wang, Dragica Vasileska
Onestopshop for teaching quantum mechanics for engineers
http://nanohub.org/resources/5222

ABACUS  Assembly of Basic Applications for Coordinated Understanding of Semiconductors
16 Jul 2008  Tools  Contributor(s): Xufeng Wang, Dragica Vasileska, Gerhard Klimeck
Onestopshop for teaching semiconductor device education
http://nanohub.org/resources/5065

Computational Electronics HW  Bandstructure Calculation
11 Jul 2008  Teaching Materials  Contributor(s): Dragica Vasileska, Gerhard Klimeck
www.eas.asu.edu/~vasileskNSF
http://nanohub.org/resources/5033

Energy Bands as a Function of the Geometry of the nWell 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 10barrier potential parameters.
NSF
http://nanohub.org/resources/4873

Tutorial on Semiempirical Band Structure Methods
06 Jul 2008  Teaching Materials  Contributor(s): Dragica Vasileska
This tutorial explains in details the Empirical Pseudopotential Method for the electronic structure calculation, the tightbinding method and the k.p method. For more details on the Empirical...
http://nanohub.org/resources/4882

Periodic Potentials and the KronigPenney Model
01 Jul 2008  Teaching Materials  Contributor(s): Dragica Vasileska
This material describes the derivation of the KronigPenney model for deltafunction periodic potentials.
http://nanohub.org/resources/4847

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...
http://nanohub.org/resources/4851

Computational Nanoscience, Lecture 19: Band Structure and Some InClass Simulation: DFT for Solids
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 inclass simulations. Here we use the DFT for molecules and solids (Siesta) course toolkit. We cover a variety...
http://nanohub.org/resources/4510

What would be the electron effective mass of InAs in its electron valleys in X,Y,Z directions?
Open  Responses: 1
The default values in the Multi gate Nanowire tool for Si effective mass in Valley 1,2,3 in x,y,z directions are
0.19,0.19,0.98; 0.19,0.98,0.19; 0.98,0.19,0.19 respectively.
Now if i am going...
http://nanohub.org/answers/question/56

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...
http://nanohub.org/resources/3997

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 nonderivative methods are discussed, as well as the...
http://nanohub.org/resources/4035

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...
http://nanohub.org/resources/3950

Finite Height Quantum Well: an Exercise for Band Structure
31 Jan 2008  Teaching Materials  Contributor(s): David K. Ferry
Use the Resonant Tunneling Diodes simulation tool on nanoHUB to explore the effects of finite height quantum wells.
Looking at a 2 barrier device, 300 K, no bias, other standard variables, and 3...
http://nanohub.org/resources/3949

MIT Atomic Scale Modeling Toolkit
15 Jan 2008  Tools  Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for Atomic Scale Modeling
http://nanohub.org/resources/3842

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.
http://nanohub.org/resources/3504

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 HOMOLUMO levels deplete...
http://nanohub.org/resources/3149

Simple Photonic Crystals
16 Aug 2007  Tools  Contributor(s): Jing Ouyang, Xufeng Wang, Minghao Qi
Photonic Crystal characteristics in an easy way
http://nanohub.org/resources/3066

MCW07 Electronic Level Alignment at MetalMolecule Contacts with a GW Approach
05 Sep 2007  Online Presentations  Contributor(s): Jeffrey B. Neaton
Most recent theoretical studies of electron transport in singlemolecule junctions rely on a Landauer approach, simplified to treat electronelectron interactions at a meanfield level within...
http://nanohub.org/resources/3094