[Wien] about the fermi level

Yushan Wang wys at UDel.Edu
Wed Oct 29 04:24:49 CET 2003


DEAR USERS:

for pure TiO2, its total valence band is below the fermi level as it
should be for a semiconductor.  for a nitrogen doped TiO2, it should be
a semiconductor too, but the calculated DOS shows that some valence bands
are above the fermi level. who know why?

yushan



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