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

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

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