Hi all I am studying the defect induced level in Ionic semiconductor like TiO2 and ZnO. In this material the coupling between electron and phonon is very strong specially when a defect forms in these materials. But by LDA and GGA normally we predict wrong defect level for them. I am in initial steps and Don't know whether the electron-phonon calculation help to predict and obtain correct defect level or not? I saw exampl07 is about electron-phonon coupling that at last prepare the lambda Vs. broadening , But I Don't know how to connect them to defect level? could anyone help me how can I use el-ph calculation to improve the levels? thanks a lot
Ali Kazempour Physics department, Isfahan University of Technology 84156 Isfahan, Iran. Tel-1: +98 311 391 3733 Fax: +98 311 391 2376 Tel-2: +98 311 391 2375 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20091019/b249a58f/attachment.htm