[Pw_forum] el-ph for vacancy

[ali kazempour]

 Hi all

I want to study vacancy problem in ionic material. When a vacancy forms in an ionic materials like ZnO, there is stronger electron-lattice coupling because of electrostatic interaction with nearly atom cores. These interaction repels the surrounding nearest neighbors away from empty lattice site. So electronic structure pictures can be affected by this type of interaction.
I want to know Does espresso help me to detect and calculate the effect of el-ph interaction on band renormalization. I saw in example07 for Al that is metal,  but I dont know that whether or not it can be  used for semiconductor ?


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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