ELECTRONIC AND OPTICAL PROPERTIES OF ZnO: FIRST PRINCIPLE INVESTIGATIONS
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Date
2018-02-05
Journal Title
Journal ISSN
Volume Title
Publisher
University of Eloued جامعة الوادي
Abstract
Dielectric function and optical properties of oxide zinc (ZnO) nanostructure are studied by the
first-principle computational within the framework of the density functional theory (DFT)
using SIESTA code. The calculated lattice parameters and internal coordinates are in very
good agreement with the experimental findings. Band structure, PDOS, real and imaginary
parts of dielectric function, reflectance and absorbance has been calculated. A comparison
with the previous studies has been made.
Description
Séminaire National Sur Laser Solaire Et Matériaux ElOeued 5-6 Février 2018
Keywords
Density Functional Theory, Siesta, Optical properties, Dielectric function