[Pw_forum] defect state

[marsamos at democritos.it]

Dear Ali, take a look to


Martin-Samos, L; Roma, G; Rinke, P, et al.
Source: PHYSICAL REVIEW LETTERS   Volume: 104   Issue: 7   Article 
Number: 075502   Published: 2010

and the related references

bests

Layla


Quoting kazempoor at ph.iut.ac.ir:

> Dear All
> I investigate the oxygen vacancy in TiO2.When I plot the band 
> structure I saw that new band falls very very closed to the CBM,but 
> this is not clear from Dos. On the other hand for charged oxygen 
> vacancy the defect state fall in the conduction band that is not 
> obvious   to detect.How can I find and see which one is defect 
> state?It is nessecary to mention that the states fall above the 
> conduction band might have empty occupations(for example o++ in TiO2).
> I would be most grateful if anyone tell me what is the true method  
> for observation of defect states.
> thanks  a lot
> Ali Kazempour
> Physics Department, Isfahan University of Technology
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-- 
Dr. L. Martin-Samos
tel. +39 040 3787 429
CNR-DEMOCRITOS and
International School for Advanced Studies (ISAS-SISSA)
via Beirut 2-4
34151 Trieste Italy

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