
Homework for PN Junctions: Depletion Approximation (ECE 606)
09 Jan 2006  Teaching Materials  Contributor(s): Muhammad A. Alam
This homework assignment is part of ECE 606 "Solid State Devices" (Purdue University). It contains 5 problems which lead students through a comparison of the depletion approximation and an exact solution of PN junction diodes. Students compute the exact solution by using the PN Junction...

NanoScale Device Simulations Using PROPHETLab Exercise 1
08 Feb 2006  Teaching Materials  Contributor(s): Yang Liu
Companion exercises for "NanoScale Device Simulations Using PROPHET".

XRay Photoelectron Spectroscopy (XPS)
14 Dec 2006  Teaching Materials  Contributor(s): David Echevarria Torres
The XPS (XRay Photoelectron Spectroscopy) it is also known as ESCA (Electron Spectroscopy for Chemical Analysis). This technique is based on the theory of the photoelectric effect that was developed by Einstein, yet it was Dr. Siegbahn and his research group who developed the XPS technique. The...

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 component in all of the electronic devices we use in our daily lives. Electronic systems are...

Computational Nanoscience, Homework Assignment 1: Averages and Statistical Uncertainty
30 Jan 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
The purpose of this assignment is to explore statistical errors and data correlation.This assignment is to be completed following lectures 1 and 2 using the "Average" program in the Berkeley Computational Nanoscience Toolkit.University of California, Berkeley

Computational Nanoscience, Lecture 2: Introduction to Molecular Dynamics
30 Jan 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
In this lecture, we present and introduction to classical molecular dynamics. Approaches to integrating the equations of motion (Verlet and other) are discussed, along with practical considerations such as choice of timestep. A brief discussion of interatomic potentials (the pair potential and...

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 nonderivative methods are discussed, as well as the importance of the starting guess and how to find or generate good initial structures. We also briefly...

Computational Nanoscience, Lecture 5: A Day of InClass Simulation: MD of Carbon Nanostructures
13 Feb 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
In this lecture we carry out simulations inclass, with guidance from the instructors. We use the LAMMPS tool (within the nanoHUB simulation toolkit for this course). Examples include calculating the energy per atom of different fullerenes and nantubes, computing the Young's modulus of a nanotube...

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 examples of typical functional forms, relative energy scales, and what to keep in mind when...

Computational Nanoscience, Lecture 7: Monte Carlo Simulation Part I
15 Feb 2008  Teaching Materials  Contributor(s): Jeffrey C Grossman, Elif Ertekin
The purpose of this lecture is to introduce Monte Carlo methods as a form of stochastic simulation. Some introductory examples of Monte Carlo methods are given, and a basic introduction to relevant concepts in statistical mechanics is presented. Students will be introduced to the Metropolis...