[Pw_forum] Fw: defect formation energy

[marsamos at democritos.it]

Dear Ali,

a positive formation energy means that it cost energy to create the 
defect. A negative one means that the system lower its energy by 
forming defects --> it will spontaneously form defects.

layla

Quoting ali kazempour <kazempoor2000 at yahoo.com>:

>
>
> Ali Kazempour
>
> Physics department, Isfahan University of Technology
>
> 84156 Isfahan, Iran.            Tel-1:  +98 311 391 3733
>
> Fax: +98 311 391 2376      Tel-2:  +98 311 391 2375
>
> --- On Fri, 9/18/09, ali kazempour <kazempoor2000 at yahoo.com> wrote:
>
> From: ali kazempour <kazempoor2000 at yahoo.com>
> Subject: defect formation energy
> To: forum at democritos.it
> Date: Friday, September 18, 2009, 5:31 AM
>
>
> Hi
> for study of point defect ,  i do relax calculation and obtain 
> positive defect formation energy while by vc-relax i gain negative. ?
> what is the difference between positive and negative formation 
> energy? waht is the physical reasons?
> thanks a lot
> Ali Kazempour
>
> Physics department, Isfahan University of Technology
>
> 84156 Isfahan, Iran.            Tel-1:  +98 311 391 3733
>
> Fax: +98 311 391 2376      Tel-2:  +98 311 391 2375
>
>
>
>
>
>



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