I would start with some reading... there are a number of research papers and review papers, notably by Chris Van de Walle, on the subject stefano - Stefano de Gironcoli - SISSA and DEMOCRITOS
Quoting Tram Bui <trambui at u.boisestate.edu>: > Dear Everyone, > would you give me some information on how one can determine the > possible charge states for a defect? e.g. Mg substitution Ga in GaN. or Ag > substitution Si in SiC. > > Regards, > > Tram Bui > > M.S. Materials Science & Engineering > trambui at u.boisestate.edu > ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
