
Comparison of PCPBT Lab and Periodic Potential Lab
10 Aug 2009   Contributor(s):: Abhijeet Paul, Samarth Agarwal, Gerhard Klimeck, Junzhe Geng
This small presentation provides information about the comparison performed for quantum wells made of GaAs and InAs in two different tools. This has been done to benchmark the results from completely two different sets of tools and validate the obtained results. In this presentation we provide...

AQME Advancing Quantum Mechanics for Engineers
Introduction to Advancing Quantum Mechanics for Engineers and Physicists
“Advancing Quantum Mechanics for Engineers” (AQME) toolbox is an assemblage of individually authored tools...
http://nanohub.org/wiki/AQME

SIESTA
05 Mar 2008   Contributor(s):: Lucas Wagner, Jeffrey C Grossman, Joe Ringgenberg, daniel richards, Alexander S McLeod, Eric Isaacs, Jeffrey B. Neaton
Use SIESTA to perform electronic structure calculations

CNTbands: FirstTime User Guide
14 Jun 2009   Contributor(s):: Xufeng Wang, Youngki Yoon
This is a simple guide designed for firsttime users of CNTbands. It gives a brief introduction of the tool and a series of tutorials to help users learn the basics of CNTbands.NCN@Purdue

Band Structure Lab: FirstTime User Guide
15 Jun 2009   Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck
This document provides useful information about Band Structure Lab. Firsttime users will find basic ideas about the physics behind the tool such as band formation, the Hamiltonian description, and other aspects. Additionally, we provide explanations of the input settings and the results of the...

Band Structure Lab Demonstration: Bulk Strain
03 Jun 2009   Contributor(s):: Gerhard Klimeck
This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.

PieceWise Constant Potential Barriers Tool Demonstration: Bandstructure Formation with Finite Superlattices
03 Jun 2009   Contributor(s):: Gerhard Klimeck, Benjamin P Haley
This video shows the simulation and analysis of a systems with a series of potential barriers. Several powerful analytic features of Piecewise Constant Potential Barrier Tool (PCPBT) are demonstrated.

ABINIT: FirstTime User Guide
09 Jun 2009   Contributor(s):: Benjamin P Haley
This firsttime 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 discuss the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...

Periodic Potential Lab: FirstTime User Guide
05 Jun 2009   Contributor(s):: Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck, SungGeun Kim, Lynn Zentner
This document provides guidance to firsttime users of the Periodic Potential Lab tool. It offers basic information about solutions to the Schröedinger Equation in case of periodic potential in 1 dimension (1D). This document also contains suggested exercises to help users run the tool and...

ECE 539 Report: Study of twodimensional ShrodingerPoisson Solver
14 May 2009   Contributor(s):: Fawad Hassan
We solve the 2Dimensional ShrodingerPoisson system of equations using a self consistent scheme (like Gummel Iteration). We study a double gate Silicon Mosfet oriented in the 100 direction using the above setup. We assume a simple 6valley bandstructure for Silicon.

ECE 606 Lecture 10: Additional Information
16 Feb 2009   Contributor(s):: Muhammad A. Alam
Outline:Potential, field, and chargeEk diagram vs. banddiagramBasic concepts of donors and acceptorsConclusion

ECE 606 Lecture 13a: Fermi Level Differences for Metals and Semiconductors
16 Feb 2009   Contributor(s):: Muhammad A. Alam
Short chalkboard lecture on Fermi level and band diagram differences for metals and semiconductors.

ECE 606 Lecture 5: Energy Bands
04 Feb 2009   Contributor(s):: Muhammad A. Alam
Outline:Schrodinger equation in periodic U(x)Bloch theoremBand structureProperties of electronic bandsConclusions

Thermoelectric Power Factor Calculator for Superlattices
18 Oct 2008   Contributor(s):: Terence Musho, Greg Walker
Quantum Simulation of the Seebeck Coefficient and Electrical Conductivity in 1D Superlattice Structures using NonEquilibrium Green's Functions

ECE 495N Lecture 21: Graphene Bandstructures
03 Nov 2008   Contributor(s):: Supriyo Datta

ECE 495N Lecture 19: Bandstructures II
03 Nov 2008   Contributor(s):: Supriyo Datta

ECE 495N Lecture 18: Bandstructures I
03 Nov 2008   Contributor(s):: Supriyo Datta

ECE 495N Lecture 20: Bandstructures III
27 Oct 2008   Contributor(s):: Supriyo Datta

Thermoelectric Power Factor Calculator for Nanocrystalline Composites
18 Oct 2008   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

1D Heterostructure Tool
04 Aug 2008   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