Comparison of Nb- and Ta-doping of anatase TiO2 for transparent conductor applications

Nb- or Ta-doped anatase TiO2 was shown to be a viable candidate for replacing indium-tin-oxide as a transparent conductive oxide. Calculating the electronic structures we find that Ta has the considerably higher solubility and lower optical effective mass of the two dopants. Our calculations also sh...

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Bibliographic Details
Published in:Journal of applied physics 2012-07, Vol.112 (1)
Main Authors: Anh Huy, Huynh, Aradi, Bálint, Frauenheim, Thomas, Deák, Peter
Format: Article
Language:English
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Summary:Nb- or Ta-doped anatase TiO2 was shown to be a viable candidate for replacing indium-tin-oxide as a transparent conductive oxide. Calculating the electronic structures we find that Ta has the considerably higher solubility and lower optical effective mass of the two dopants. Our calculations also show that a reducing atmosphere is necessary for efficient dopant incorporation, and oxygen vacancies do not necessarily play a role in their activation.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4733350