DFT STUDY OF CsCaF3:Eu

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Gazi University Journal of Science
Volume:29 Issue:2
DFT STUDY OF CsCaF3:Eu

DFT STUDY OF CsCaF3:Eu

Authors : Murat Aycibin, Bahattin Erdinç

Pages : 273-278

View : 20 | Download : 9

Publication Date : 2016-06-20

Article Type : Other Papers

Abstract :In this article, we studied some changes on structural, optical and electronic properties of CsCaF3 when it is doped with Eu atom. All properties of doped CsCaF3 are calculated using the full potential linearized augmented plane wave to the density functional theory. The exchange-correlation potential is evaluated using generalized gradient approximation. This work presents comparison of undoped and doped with Eu atoms of CsCaF 3 compound. Moreover, we show that CsCaF3:Eu has indirect band gap with the Generalized Gradient Approximation and doping makes energy band gap values decreases.
Keywords : DFT, Electronic band Structure, Optical Properties

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