Hello all, I am trying to calculate the electronic bandgap for wurtzite ZnO using the attached plot of?DoS (E), where the Fermi level is represented by a vertical
dashed-line and EV represents the valence band maximum. My question is, should I use EC1 or EC2 as my conduction band minimum? If I use EC1, the bandgap is ~0.5eV but if I consider those states at that point negligible and use EC2 then the bandgap is ~1.5eV. (NOTE: the experimental bandgap is 3.36eV.) Thanks for the help. -- Izaak Williamson Research Assistant Physics Department Boise State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120517/b7b34cf0/attachment-0001.htm -------------- next part -------------- A non-text attachment was scrubbed... Name: bandgap-pdos.png Type: image/png Size: 32553 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20120517/b7b34cf0/attachment-0001.png
