DFT STUDY OF CsCaF3:Eu

Murat Aycibin, Bahattin Erdinç
1.650 377

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 CsCaF3 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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References


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