[Pw_forum] Fermi energy shift

meysam pazoki m_pazoki at physics.sharif.edu
Thu Feb 10 18:05:48 CET 2011

Dear Quantum Espresso users

I have a question about shifting the fermi energy of  semiconductors.
After adsorbtion of oxygen atoms on the surface of ZnO slab,the calculated
fermi energy was shifted.
My question is that "Can i trust on this shift of fermi energy or i should
consider the shift of local orbital DOS relative to fermi energi?"
We know that DFT results for semiconductor gaps is wrong ,can i use DFT for
this discussions or i should use GW?

Thanks alot for your help

Best Regards
meysam pazoki
Ph.D student of physics
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