
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

2010 NCN@Purdue Summer School: Electronics from the Bottom Up
20 Apr 2010 
Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.

A Tutorial for Nanoelectronics Simulation Tools
03 Jul 2007   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 introduction to the simulator is presented, followed by voiced presentations featuring the simulator in...

ABACUS  Assembly of Basic Applications for Coordinated Understanding of Semiconductors
16 Jul 2008   Contributor(s):: Xufeng Wang, Dragica Vasileska, Gerhard Klimeck
Onestopshop for teaching semiconductor device education

ABACUS Exercise: Bandstructure – KronigPenney Model and TightBinding Exercise
20 Jul 2010   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
The objective of this exercise is to start with the simple KronigPenney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D periodic potentials. The second exercise examines the behavior of the bands at the Brillouin zone...

ABACUS: Test for Bandstructure Lab
09 Aug 2010   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
This is a test that examines ones understanding of electronic structure once he/she has gone through the materials and exercises provided on the nanoHUB as part of the ABACUS Bandstructure topic page and running the Bandstructure Lab.

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...

ACUTE  Bandstructure Assignment
07 Jul 2011   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
This is assignment that is part of the ACUTE toolbased curricula that guides the students step by step how to implement an empirical pseudopotential method for the bandstructure calculation.

Additional Tutorials on Selected Topics in Nanotechnology
23 Mar 2011   Contributor(s):: Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja
Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.

AQME  Advancing Quantum Mechanics for Engineers
12 Aug 2008   Contributor(s):: Gerhard Klimeck, Xufeng Wang, Dragica Vasileska
Onestopshop for teaching quantum mechanics for engineers

Atomistic Alloy Disorder in Nanostructures
26 Feb 2007   Contributor(s):: Gerhard Klimeck
Electronic structure and quantum transport simulations are typically performed in perfectly ordered semiconductor structures. Bands and modes are defined resulting in quantized conduction and discrete states. But what if the material is fundamentally disordered? What if the disorder is at the...

Band Structure Calculation: General Considerations
17 May 2010   Contributor(s):: Dragica Vasileska
This set of slides explains to the users the concept of valence vs. core electrons, the implications of the adiabatic approximation on the separation of the total Hamiltonian of the system and the meanfield approximation used in ab initio bandstructure approaches. It then gives systematic...

Band Structure Lab Demonstration: Bulk Strain
12 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.

Band Structure Lab Exercise
28 Jun 2010   Contributor(s):: Gerhard Klimeck, Parijat Sengupta, Dragica Vasileska
Investigations of the electron energy spectra of solids form one of the most active fields of research. Knowledge of band theory is essential for application to specific problems such as Gunn diodes, tunnel diodes, photodetectors etc. There are several standard methods to compute the band...

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...

Bandstructure in Nanoelectronics
01 Nov 2005   Contributor(s):: Gerhard Klimeck
This presentation will highlight, for nanoelectronic device examples, how the effective mass approximation breaks down and why the quantum mechanical nature of the atomically resolved material needs to be included in the device modeling. Atomistic bandstructure effects in resonant tunneling...

Bandstructure of Carbon Nanotubes and Nanoribbons
14 Jun 2007   Contributor(s):: James K Fodor, Seokmin Hong, Jing Guo
This learning module introduces users to the CarbonNano Bands simulation tool, which simulates the bandstructure of Carbon Nanotubes (CNTs) and Nanoribbons (CNRs). To gives users a strong background in bandstructure, the module starts with sections that introduce bandstructure basics. To this...

Berkeley GW
27 Sep 2009   Contributor(s):: Alexander S McLeod, Peter Doak, Sahar Sharifzadeh, Jeffrey B. Neaton
This is an educational tool that illustrates the calculation of the electronic structure of materials using manybody perturbation theory within the GW approximation

Bulk Bandstructure in MATLAB: Pseudopotential Method
08 Feb 2010   Contributor(s):: Muhanad Zaki
This code (MATLAB) readily calculates and plots the bandstructure of Silicon (bulk) using the empirical pseudopotential method.Detailed instructions are in the compressed archive.I hope it would be a useful/interesting educational toolNote: If you are running this code in a nonWindows OS (e.g....

CNTbands
14 Dec 2006   Contributor(s):: Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed
This tool simulates Ek and DOS of CNTs and graphene nanoribbons.