CRYSTAL VIEWER SIMULATION TOOL on nanoHUB.org
25 Mar 2014 | Contributor(s): osiris vincent ntarugera, Zach Schaffter, Kevin Margatan, Tanya Faltens, James Fonseca, Michael Povolotskyi, Gerhard Klimeck
Tight Binding Parameters by DFT mapping
Presentation Materials | 12 Sep 2012 | Contributor(s): Yaohua Tan, Michael Povolotskyi, Tillmann Christoph Kubis, Yu He, Zhengping Jiang, Timothy Boykin, Gerhard Klimeck
The Empirical Tight Binding(ETB) method is widely used in atomistic device simulations. The reliability of such simulations depends very strongly on the choice of basis sets and the ETB parameters. The traditional way of obtaining the ETB parameters is by fitting to experiment data,or critical...