SIMULATION OF OPTICAL PROPERTIES OF ZnO SUPERCELL BASED ON DENSITY FUNCTIONAL THORY.
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Date
2018-02-05
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University of Eloued جامعة الوادي
Abstract
This work presente the optical properties of ZnO semiconductor calculated by full potential
linearized augmented plane wave (FP-LAPW) method with the local density approximation
(LSDA) and the modified Becke-Johson (mBJ) potential. The scope of this work is to study
some optical properties as (Dielctric function, Eloss Function, Refractive index …) of ZnO
(1×1×1), (1×2×2) supercell in Zincblende (ZB) and Rocksalt (RS) phases. Our analysis
revealed that the mBJ potential gives good results for the treatement of the d-orbitals.
Description
Séminaire National Sur Laser Solaire Et Matériaux ElOeued 5-6 Février 2018
Keywords
Dielectric function, Refractive index, ZnO, mBJ, Supercell, FP-LAPW.