[Wien] need your help please

sikander Azam sikander.physicst at gmail.com
Thu Sep 10 12:48:01 CEST 2015


Resp. Prof. Víctor Luaña
Thanks sir for your reply, but sir experimentally silcon dioxide has 8.0 eV
band gap, but when I doped Nitrogen at Oxygen site then I get metallic
nature. This is the confusion.
Regards
sikander

On Thu, Sep 10, 2015 at 3:24 AM, Víctor Luaña <
victor at fluor.quimica.uniovi.es> wrote:

> On Thu, Sep 10, 2015 at 03:07:41AM -0700, sikander Azam wrote:
> > Dear user
> > I am doing calculations on silicon dioxide, but When I make the
> supercell,
> > and replace Oxygen by Nitrogen. This give me metalic nature,
> >  Please help me in this regards
>
> Sikander,
>
> Silicon nitride, Si3N4, exists in nature as a ceramic and very hard
> material. The description in your e-mail does not corresponds to this
> compound. Try to revise your ideas on chemistry. The cif of Si3N4 can
> be found in the "Crystallography Open Database"
>
> <www.crystallography.net>
>
> Regards,
>          Dr. Víctor Luaña
> --
>      .  .    "In science a person can be convinced by a good argument.
>     / `' \   That is almost impossible in politics or religion"
>    /(o)(o)\  (Adapted from Carl Sagan)
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>   \/`'`'`'\/  bad, because mediocrity is not a grade, it is an attitude)
> ===(((==)))==================================+=========================
> ! Dr.Víctor Luaña, in silico chemist & prof. !"I have two kinds of
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