ACUTE - Bandstructure Assignment

07 Jul 2011 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

This is assignment that is part of the ACUTE tool-based curricula that guides the students step by step how to implement an empirical pseudopotential method for the bandstructure calculation.

https://nanohub.org/resources/11613

ABACUS: Test for Bandstructure Lab

10 Aug 2010 | Teaching Materials | 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 …

https://nanohub.org/resources/9493

Description of the K.P Method for Band Structure Calculation

05 Aug 2010 | Teaching Materials | Contributor(s): Dragica Vasileska

This set of slides describes the k.p mehod for band structure calculation.

https://nanohub.org/resources/9454

ABACUS Exercise: Bandstructure – Kronig-Penney Model and Tight-Binding Exercise

20 Jul 2010 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

The objective of this exercise is to start with the simple Kronig-Penney model and understand formations of bands and gaps in the dispersion relation that describes the motion of carriers in 1D …

https://nanohub.org/resources/9372

Band Structure Lab Exercise

28 Jun 2010 | Teaching Materials | 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, …

https://nanohub.org/resources/9233

Tight-Binding Band Structure Calculation Method

08 Jun 2010 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

This set of slides describes on simple example of a 1D lattice, the basic idea behind the Tight-Binding Method for band structure calculation.

https://nanohub.org/resources/9122

Band Structure Calculation: General Considerations

17 May 2010 | Teaching Materials | 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 …

https://nanohub.org/resources/9003

Empirical Pseudopotential Method: Theory and Implementation

17 May 2010 | Teaching Materials | 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 …

https://nanohub.org/resources/8999

Nanotechnology Animation Gallery

22 Apr 2010 | Teaching Materials | 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. …

https://nanohub.org/resources/8882

Illinois ECE 440: Diffusion and Energy Band Diagram Homework

28 Jan 2010 | Teaching Materials | Contributor(s): Mohamed Mohamed

This homework covers Diffusion of Carriers, Built-in Fields and Metal semiconductor junctions.

https://nanohub.org/resources/8264

CNTbands: First-Time User Guide

15 Jun 2009 | Teaching Materials | Contributor(s): Xufeng Wang, Youngki Yoon

This is a simple guide designed for first-time 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

https://nanohub.org/resources/6909

Band Structure Lab: First-Time User Guide

15 Jun 2009 | Teaching Materials | Contributor(s): Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck

This document provides useful information about Band Structure Lab. First-time users will find basic ideas about the physics behind the tool such as band formation, the Hamiltonian description, and …

https://nanohub.org/resources/6935

ABINIT: First-Time User Guide

09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley

This first-time 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 …

https://nanohub.org/resources/6874

Periodic Potential Lab: First-Time User Guide

07 Jun 2009 | Teaching Materials | Contributor(s): Abhijeet Paul, Benjamin P Haley, Gerhard Klimeck, SungGeun Kim, Lynn Zentner

This document provides guidance to first-time users of the Periodic Potential Lab tool. It offers basic information about solutions to the Schröedinger Equation in case of periodic potential in …

https://nanohub.org/resources/6855

Computational Electronics HW - Bandstructure Calculation

11 Jul 2008 | Teaching Materials | Contributor(s): Dragica Vasileska, Gerhard Klimeck

www.eas.asu.edu/~vasileskNSF

https://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

https://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 …

https://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.

https://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 the …

https://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 of …

https://nanohub.org/resources/4510