AB-INITIO CALCULATIONS OF THE DIELECTRIC CONSTANT, OPTICAL ABSORPTION AND THE REFRACTIVE INDEX OF ZN1-XBEXO ALLOY

  • SAID LAKEL Laboratory of physical materials - University of LAGHOUAT – BP 37G, Laghouat, Algeria Laboratory of Metallic and Semiconducting Materials, University of Biskra, Algeria
  • FATIMA ELHAMRA Laboratory of Metallic and Semiconducting Materials, University of Biskra, Algeria
  • M IBRIR Laboratory of Physics of Materials and its Applications,University of Msila, Algeria.
  • K ALMI Laboratory of physical materials - University of LAGHOUAT – BP 37G, Laghouat, Algeria

Résumé

The optical properties of Zn1-xBexO were studied by first principle method using the density functional theory. The dielectric function and optical constants are calculated using PP-PW method within the generalized gradient approximation (GGA). The theoretical calculated optical properties yield a static dielectric constant for Zn1-xBexO are 4.08, 3.86, 3.60, 3.12 and 2.85 along polarization direction (001). It indicates that the static dielectric constants reduce with increasing Be concentration. However a static refractive indices for Zn1-xBexO are found to be 2.05, 1.98, 1.88, 1.77 and 1.70 with the increasing x, respectively. The obtained results agree well with the available theoretical and experimental values. 

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Publiée
2016-01-19
Comment citer
LAKEL, SAID et al. AB-INITIO CALCULATIONS OF THE DIELECTRIC CONSTANT, OPTICAL ABSORPTION AND THE REFRACTIVE INDEX OF ZN1-XBEXO ALLOY. Courrier du Savoir, [S.l.], v. 20, jan. 2016. ISSN 1112-3338. Disponible à l'adresse : >http://revues.univ-biskra.dz/index.php/cds/article/view/1455>. Date de consultation : 04 jui. 2020
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