-
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 Non-Equilibrium 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, Hong-Hyun Park, Samarth Agarwal, Gerhard Klimeck
Poisson-Schrödinger 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
One-stop-shop 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
One-stop-shop 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 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.NSF
http://nanohub.org/resources/4873
-
Tutorial on Semi-empirical 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 tight-binding method and the k.p method. For more details on the Empirical...
http://nanohub.org/resources/4882
-
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.
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 In-Class 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 in-class 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 non-derivative 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 nm...
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 HOMO-LUMO 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 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...
http://nanohub.org/resources/3094