[Wien] about the E (TOP) of O

[Yushan Wang]

hi, for pure TiO2, the fermi level is just above the top of the valence
band, but when I use nitrogen (N) to dope it, I found the fermi level
insert into the  upper valence band. is it reasonable?

yushan

On Sat, 25 Oct 2003, Stefaan Cottenier wrote:

>
> > No, I find the fermi energy is just 0.23.
> > so should I change the E(top) to less than 0.23?
>
> Again no. The s-band apparantly crosses E_fermi with its upper tail,
> and there is nothing wrong with that. Do you have a specific reason to
> expect it to be really completely below E_fermi ?
>
> Stefaan
>
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