Impurities and Disorder with First Principles methods

Brainstorming Session

Speaker: See program
Date & Time: October 4 - 7, 2011
Location: UBC, AMPEL 311
Local Contact: Ilya Elfimov
Intended Audience: Graduate

October 4 – 7, 2011, University of British Columbia

One of the really important issues in all of quantum materials research is the role of defects and impurities and disorder. Up to now there is no reliable theoretical procedure to study the electronic structure as a function of disorder and of random chemical substitution. We discussed the development of a first principles density functional band structure method that could provide information on the self energies resulting from impurity and defect scattering. In fact such a method was set up and has already been tested in several model systems. We will now apply these rather complicated and computer intensive methods to real systems and real experimental spectroscopic information.

Program