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Reproducing DFT calculations of Al2O3/GaAs interface structure and Fermi level pinning
18 Mar 2015 | | Contributor(s):: Alejandro Strachan
The goal of this resource is to demonstrate how to reproduce the results of the following research paper using the nanoMATERIALS SeqQuest DFT simulation tool on nanoHUB. In addition to reproducing the paper's results, users can run variations of the simulation to explore the...
ANGEL - A Nonequilibrium Green Function Solver for LEDs
18 Jan 2010 | | Contributor(s):: sebastian steiger
An MPI-parallelized implementation of 1-D NEGF for heterostructures. Includes off-diagonal scattering. Effective mass band structure for electrons and holes. The online tool only provides basic NEGF functionality without scattering.