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 SUT -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110210/0b23e55b/attachment.htm
