A first principles investigation of the effect of aluminum, gallium and indium impurities on optical properties of β-Si3N4 structure

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2019-10-01
Date
2017
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Source Title
Optik
Print ISSN
0030-4026
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Publisher
Elsevier GmbH
Volume
147
Issue
Pages
115 - 122
Language
English
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Abstract

In this study, effects of some impurity atoms included in IIIA group such as Al, Ga, and In on the optical properties of the β-Si3N4 structure have been discussed. The calculations were made using Density Functional Theory (DFT) in 0–15 eV range and local density approximation (LDA) as the exchange-correlation. Using the real and the imaginary parts of the complex dielectric function, the basic optical properties of β-Si3N4 such as dielectric coefficient, refractive index, absorption, reflection coefficients have been investigated. As a result of the calculations, it is determined that optical properties of structure have been significantly changed with doping.

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