An Efficient Strategy for Controlled Band Gap Engineering of KTaO3

In this theoretical study, a systematic investigation has been carried out to explore the effect of several anionic dopants (individually as well as in combination) on the electronic structure of KTaO3. According to the defect formation energy calculation, the formation of a codoped system is more f...

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Veröffentlicht in:Journal of physical chemistry. C 2016-04, Vol.120 (13), p.6920-6929
Hauptverfasser: Modak, Brindaban, Ghosh, Swapan K
Format: Artikel
Sprache:eng
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