[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)
> /`. \/ .'\ "Lo mediocre es peor que lo bueno, pero también es peor
> / '`'` \ que lo malo, porque la mediocridad no es un grado, es una
> | \'`'`/ | actitud" -- Jorge Wasenberg, 2015
> | |'`'`| | (Mediocre is worse than good, but it is also worse than
> \/`'`'`'\/ bad, because mediocrity is not a grade, it is an attitude)
> ===(((==)))==================================+=========================
> ! Dr.Víctor Luaña, in silico chemist & prof. !"I have two kinds of
> problems,
> ! Departamento de Química Física y Analítica ! the urgent and the
> important.
> ! Universidad de Oviedo, 33006-Oviedo, Spain ! The urgent are not
> important,
> ! e-mail: victor at fluor.quimica.uniovi.es ! and the important are never
> ! phone: +34-985-103491 fax: +34-985-103125 ! urgent.
> +--------------------------------------------+ (Dwight D.
> Eisenhower)
> GroupPage : http://azufre.quimica.uniovi.es/
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150910/5af78310/attachment.html>
More information about the Wien
mailing list