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Structural, electronic and optical properties of spinel oxides: cadmium gallate and cadmium indate

Published online by Cambridge University Press:  13 June 2007

A. Bouhemadou ,
R. Khenata ,
D. Rached ,
F. Zerarga  and
M. Maamache
A. Bouhemadou*
Affiliation:
Department of Physics, Faculty of Science, University of Setif, 19000 Setif, Algeria
R. Khenata
Affiliation:
Laboratoire de Physique Quantique et de Modélisation Mathématique (LPQ3M), Département de Technologie, Université de Mascara, 29000 Mascara, Algeria
D. Rached
Affiliation:
Applied Materials Laboratory (AML), Electronics Department, University of Sidi-Bel-Abbes, 22000 Sidi-Bel-Abbes, Algeria
F. Zerarga
Affiliation:
Department of Physics, Faculty of Science, University of Setif, 19000 Setif, Algeria
M. Maamache
Affiliation:
Department of Physics, Faculty of Science, University of Setif, 19000 Setif, Algeria
*
[email protected]
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Abstract

The structural, electronic and optical properties of two principal representatives of spinel oxides CdGa2O4 and CdIn2O4 have been investigated using the full-potential augmented plane-wave plus local orbitals method within density functional theory. We used the generalized gradient approximation (GGA) for the exchange-correlation (XC) potential. Moreover, the alternative form of GGA proposed by Engel and Vosko (GGA-EV) is also used for the band structure calculations. The equilibrium lattice constants and the internal parameters are in agreement with the available experimental results. Results obtained for band structure using GGA-EV show a significant improvement over other theoretical work and are closer to the experimental data. The pressure dependence of band gaps is investigated. The dielectric function, reflectivity spectra and refractive index are calculated up to 50 eV. Pressure and volume dependence of the static refractive index have been also calculated.

Keywords

Type
Research Article
Information
The European Physical Journal - Applied Physics , Volume 38 , Issue 3 , June 2007 , pp. 203 - 210
Copyright
© EDP Sciences, 2007

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