ABACUS: Test for Periodic Potential Lab

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

The objective of this test is to give an idea to a self-learning students or to instructors in the case this test is used in a classroom the level of understanding of this topic when students have …

https://nanohub.org/resources/9458

Periodic Potentials Exercise

16 Jun 2010 | Teaching Materials | Contributor(s): Gerhard Klimeck, Parijat Sengupta, Dragica Vasileska

In this exercise, various calculations of the electronic band structure of a one-dimensional crystal are performed with the Kronig-Penney (KP) model. This model has an analytical solution and …

https://nanohub.org/resources/9195

Comparison of PCPBT Lab and Periodic Potential Lab

10 Aug 2009 | Online Presentations | 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 …

https://nanohub.org/resources/7201

Periodic Potential Lab Demonstration: Standard Kroenig-Penney Model

11 Jun 2009 | Animations | Contributor(s): Gerhard Klimeck, Benjamin P Haley

This video shows the simulation of a 1D square well using the Periodic Potential Lab. The calculated output includes plots of the allowed energybands, a table of the band edges and band gaps, plots …

https://nanohub.org/resources/6839

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

Cosine Bands: an Exercise for PCPBT

21 Aug 2008 | Teaching Materials | Contributor(s): Gerhard Klimeck, Dragica Vasileska

This exercise demonstrates the formation of cosine bands as we increase the number of wells in the n-well structure.

https://nanohub.org/resources/5319

Computational Nanoscience, Lecture 6: Pair Distribution Function and More on Potentials

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

In this lecture we remind ourselves what a pair distribution function is, how to compute it, and why it is so important in simulations. Then, we revisit potentials and go into more detail including …

https://nanohub.org/resources/4039

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

Semiconductor Device Education Material

28 Jan 2008 | Teaching Materials | Contributor(s): Gerhard Klimeck

This page has moved to "a Wiki page format" When we hear the words, semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic …

https://nanohub.org/resources/3934

Periodic Potential Lab

19 Jan 2008 | Tools | Contributor(s): Abhijeet Paul, Junzhe Geng, Gerhard Klimeck

Solve the time independent schrodinger eqn. for arbitrary periodic potentials

https://nanohub.org/resources/3847