
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.

ABACUS: Test for Bandstructure Lab
10 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.

Description of the K.P Method for Band Structure Calculation
05 Aug 2010  Contributor(s):: Dragica Vasileska
This set of slides describes the k.p mehod for band structure calculation.

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...

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...

TightBinding Band Structure Calculation Method
08 Jun 2010  Contributor(s):: Dragica Vasileska, Gerhard Klimeck
This set of slides describes on simple example of a 1D lattice, the basic idea behind the TightBinding Method for band structure calculation.

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...

Empirical Pseudopotential Method: Theory and Implementation
17 May 2010  Contributor(s):: Dragica Vasileska
This tutorial first teaches the users the basic theory behind the Empirical Pseudopotential (EPM)Bandstructure Calculation method. Next, the implementation details of the method are described and finally a MATLAB implementation of the EPM is provided.vasileska.faculty.asu.eduNSF

Nanotechnology Animation Gallery
22 Apr 2010   Contributor(s):: Saumitra Raj Mehrotra, Gerhard Klimeck
Animations and visualization are generated with various nanoHUB.org tools to enable insight into nanotechnology and nanoscience. Click on image for detailed description and larger image download. Additional animations are also available Featured nanoHUB tools: Band Structure Lab. Carrier...

Illinois ECE 440: Diffusion and Energy Band Diagram Homework
28 Jan 2010   Contributor(s):: Mohamed Mohamed
This homework covers Diffusion of Carriers, Builtin Fields and Metal semiconductor junctions.

CNTbands: FirstTime User Guide
15 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...

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
07 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...

Computational Electronics HW  Bandstructure Calculation
11 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
www.eas.asu.edu/~vasileskNSF

Energy Bands as a Function of the Geometry of the nWell Potential: an Exercise
05 Jul 2008   Contributor(s):: Dragica Vasileska, Gerhard Klimeck
Explores the position and the width of the bands as a function of the 10barrier potential parameters.NSF

Tutorial on Semiempirical Band Structure Methods
06 Jul 2008   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 Pseudopotential Method listen to the following presentation:Empirical Pseudopotential Method Described...

Periodic Potentials and the KronigPenney Model
01 Jul 2008   Contributor(s):: Dragica Vasileska
This material describes the derivation of the KronigPenney model for deltafunction periodic potentials.

Periodic Potentials and Bandstructure: an Exercise
02 Jul 2008   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 the gaps that open at the Brillouin zone boundaries become smaller and smaller (thus recovering the...

Computational Nanoscience, Lecture 19: Band Structure and Some InClass Simulation: DFT for Solids
30 Apr 2008   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 of solids, optimizing structures, testing kpoint convergence, computing cohesive energies, and...