
Real space firstprinciples semiempirical pseudopotentials for Fe/MgO/Fe
03 Dec 2008  Downloads  Contributor(s): Kirk H. Bevan
A set of semiempirical pseudopotentials for the atomistic modeling of Fe/MgO/Fe tunnel junctions. See the attached document for a full description of their derivation and the modeling...
http://nanohub.org/resources/5997

1D Heterostructure Tool
04 Sep 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, James Fonseca, Archana Tankasala, KuangChung Wang, ChinYi Chen, Fan Chen
PoissonSchrödinger Solver for 1D Heterostructures
http://nanohub.org/resources/1dhetero

Computational Nanoscience, Lecture 17: TightBinding, and Moving Towards Density Functional Theory
24 Mar 2008  Teaching Materials  Contributor(s): Elif Ertekin, Jeffrey C Grossman
The purpose of this lecture is to illustrate the application of the TightBinding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to...
http://nanohub.org/resources/4164

Semiconductor Device Education Material
28 Jan 2008  Teaching Materials  Contributor(s): Gerhard Klimeck
This page has moved to "a Wiki page format"
When we hear the words, semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic...
http://nanohub.org/resources/edu_semi

High Precision Quantum Control of Single Donor Spins in Silicon
14 Jan 2008  Papers  Contributor(s): Rajib Rahman, marta prada, Gerhard Klimeck, Lloyd Hollenberg
The Stark shift of the hyperfine coupling constant is investigated for a P donor in Si far below the ionization regime in the presence of interfaces using tightbinding and band minima basis...
http://nanohub.org/resources/3829

Valley splitting in strained silicon quantum wells modeled with 2 degree miscuts, step disorder, and alloy disorder
14 Jan 2008  Papers  Contributor(s): Neerav Kharche, marta prada, Timothy Boykin, Gerhard Klimeck
Valley splitting (VS) in strained SiGe/Si/SiGe quantum wells grown on (001) and 2° miscut substrates is computed in a magnetic field. Calculations of flat structures significantly overestimate,...
http://nanohub.org/resources/3827

Atomistic Electronic Structure Calculations of Unstrained Alloyed Systems Consisting of a Million Atoms
14 Jan 2008  Papers  Contributor(s): Gerhard Klimeck, Timothy Boykin
The broadening of the conduction and valence band edges due to compositional disorder in alloyed materials of finite extent is studied using an s p3 s ∗ tight binding model. Two sources of...
http://nanohub.org/resources/3821

Quantum Dot Lab Learning Module: An Introduction
02 Jul 2007  Series  Contributor(s): James K Fodor, Jing Guo
THIS MATERIAL CORRESPONDS TO AN OLDER VERSION OF QUANTUM DOT LAB THAN CURRENTLY AVAILABLE ON nanoHUB.org.
http://nanohub.org/resources/2846

CGTB
16 Jun 2006  Tools  Contributor(s): Gang Li, Yang Xu, Narayan Aluru
Compute the charge density distribution and potential variation inside a MOS structure by using a coarsegrained tight binding model
http://nanohub.org/resources/cgtb

Quantum Dot Lab
12 Nov 2005  Tools  Contributor(s): Prasad Sarangapani, James Fonseca, Daniel F Mejia, James Charles, Woody Gilbertson, Tarek Ahmed Ameen, Hesameddin Ilatikhameneh, Andrew Roché, Lars Bjaalie, Sebastian Steiger, David Ebert, Matteo Mannino, HongHyun Park, Tillmann Christoph Kubis, Michael Povolotskyi, Michael McLennan, Gerhard Klimeck
Compute the eigenstates of a particle in a box of various shapes including domes, pyramids and multilayer structures.
http://nanohub.org/resources/qdot