Molecular Foundry Seminar

"Alloy Scattering in Semiconductors: Calculations from First Principles"

Dr. Stephen Fahy, University College Cork, Ireland and Pulse Center, Stanford University,
Tuesday, August 3rd at 1:30 pm, Bldg. 67-Room 3111

Abstract:

The basic quantum-mechanical ideas of alloy scattering were worked out as early as 1931 by Nordheim. However, until recently our ability to quantitatively calculate charge carrier scattering in alloys has been limited by our ability to accurately represent the structural and electronic properties of atomic fluctuations in real materials. In this talk, I will present the background quantum mechanics and statistical mechanics required to represent alloy scattering in terms of defect scattering and will show how standard supercell methods of modern first-principles electronic structure theory can be used to give quantitative predictions of carrier mobility in semiconductor alloys.