Teaching Materials (1-4 of 4)

1. A Guide to the MIT Atomic Scale Modeling Toolkit for nanoHUB.org

   22 Nov 2022 | | Contributor(s):: Enrique Guerrero

   This document is a guide to the Quantum ESPRESSO application within the >MIT Atomic Scale Modeling Toolkit The guide was designed to be presented as part II of the nanoHUB seminar “A condensed matter physics class and a Course-based Undergraduate Research Experience (CURE) with the MIT...

2. Computational Electronics HW - DOS and Fermi Golden Rule

   out of 5 stars 

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

   www.eas.asu.edu/~vasileskNSF

3. Learning Module: Band Structure for Pure and Doped Silicon

   10 Dec 2018 | | Contributor(s):: Peilin Liao

   In this lab, students will learn to perform online density functional theory (DFT) simulations to compute band structures and density of states (DOS) for pure and doped Si using the DFT Material Properties Simulator available on nanoHUB. The students will work with crystalline pure and doped...

4. Using DFT to Simulate the Band Structure and Density of States of Crystalline Materials

   23 Aug 2017 | | Contributor(s):: André Schleife, Materials Science and Engineering at Illinois

   In this activity, DFT is used to simulate the band structure and density of states of several crystalline semiconductors.  Users are instructed in how to use the Bilbao Crystallographic Server to select a path through the Brillouin zone for each structure. This activity is adapted from an...