[Pw_forum] defect state

[Giuseppe Mattioli]

On the top of what Paolo said, I can only add (for the fifth or sixth time...) 
that oxygen vacancies in TiO2 are not the less studied defects in 
semiconductors... A couple of papers (amongst hundreds) could answer the 
majority of your questions...
So please span the ACS and APS repositories and flick through the results.

Giuseppe 


On Tuesday 02 March 2010 17:45:09 Paolo Giannozzi wrote:
> kazempoor at ph.iut.ac.ir wrote:
> > I would be most grateful if anyone tell me what is the true
> >  method for observation of defect states
>
> there is no "true method", and more often than not you
> cannot trust the position of defect states obtained in
> DFT (especially in nasty systems like TiO2).
>
> P.


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   Giuseppe Mattioli                            
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