[Wien] Interstitial N-N pair in GaP supercell

[shamik chakrabarti]

Dear Kakhaber Jandieri Sir,

                                        First of all I am sorry because I am
not able to answer your question instead of I am humbelly asking you a
question. You have replaced one P atom by a pair of N atom.
I am interested to know that how do you able to replace one atom by two
atoms?

With regards,

On Sun, Jul 4, 2010 at 5:17 PM, Kakhaber Jandieri <
Kakhaber.Jandieri at physik.uni-marburg.de> wrote:

> In addition to my previous letter.
>
> I thought that may be the problem is in very large difference between the
> RMT(Ga,P)=2.0 and RMT (N)=1.0, but I cannot increase the RMT(N) because
> of overlapping spheres and, on the other hand, I cannot decrease the
> RMT(Ga,P) because of charge leakage.
>
>
> Could somebody advice the solution of this problem?
>
> I will be extremely thankful for any suggestion.
>
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-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics & Meteorology
Material Processing & Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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