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

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

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

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

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

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

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

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

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

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

Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

13 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the …

https://nanohub.org/resources/4035

Description of the K.P Method for Band Structure Calculation

04 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

Empirical Pseudopotential Method: Theory and Implementation

16 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

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

Finite Height Quantum Well: an Exercise for Band Structure

31 Jan 2008 | Teaching Materials | Contributor(s): David K. Ferry

Use the Resonant Tunneling Diodes simulation tool on nanoHUB to explore the effects of finite height quantum wells. Looking at a 2 barrier device, 300 K, no bias, other standard variables, and 3 nm …

https://nanohub.org/resources/3949

Homework Assignment: Periodic Potentials

31 Jan 2008 | Teaching Materials | Contributor(s): David K. Ferry

Using the Periodic Potential Lab on nanoHUB determine the allowed bands for an energy barrier of 5 eV, a periodicity W = 0.5nm, and a barrier thickness of 0.1nm. How do these bands change if the …

https://nanohub.org/resources/3950

Illinois ECE 440: Diffusion and Energy Band Diagram Homework

27 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

Nanotechnology Animation Gallery

20 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

Periodic Potential Lab: First-Time User Guide

05 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

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