[Pw_forum] elctron-phonon

[ali kazempour]

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



      
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