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

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NARİN P., Kutlu E., Atmaca G., LİŞESİVDİN S. B., Ozbay E.

OPTIK, vol.147, pp.115-122, 2017 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 147
  • Publication Date: 2017
  • Doi Number: 10.1016/j.ijleo.2017.08.056
  • Journal Name: OPTIK
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.115-122
  • Keywords: beta-Si3N4, Ab initio, Optical properties, DFT, SILICON-NITRIDE, ELECTRONIC-STRUCTURE, MICROSTRUCTURE, GAMMA-SI3N4, GROWTH, FILMS, GAP
  • Gazi University Affiliated: Yes

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 beta-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 beta-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. (C) 2017 Elsevier GmbH. All rights reserved.