[Pw_forum] Doping semiconductor

[Arles V. Gil Rebaza]

Dear Adetunji,
if you want to dope some semiconductor, probably you need build a supercell
of your compound and change an atom of the semiconductor by another one (*
Substitutional* doping) or put an atom (dope atom) among the semiconductor
atoms (interstitial doping).

Best.

PhD stdn. Arles V. Gil Rebaza
IFLP - Argentina

2011/9/20 bamidele ibrahim <bamideleibrahim at yahoo.com>

> Dear all,
>     I am interested in doping some semiconductor with some metals. But, i
> don't understand how
> to prepared the input file. I have run series of scf,nscf and  even plotted
> the band structure, dos and
>  charge density of most of the semiconductor am interested in. But now, i
> want to investigate the effect
> of doing on the semiconductor of interest. I will be delighted if anybody
> with an idea on how to do this can
> share his or her experience on this with me.
> Thanks
>
> Adetunji Bamidele Ibrahim
> Department of physics,University of Agriculture,
> Abeokuta, Ogun State,Nigeria.
>
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>


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