Browsing School of Materials Engineering (Articles) by Author "Ouahrani, Tarik"

Now showing items 1-3 of 3

Density functional theory calculation of the optical properties and topological analysis of the electron density of MBi2B 2O7 (M = Ca,Zn) compounds

Boudia, I. Merad; Ali Hussain, Reshak, Prof. Dr.; Ouahrani, Tarik; Bentalha, Z. (American Institute of Physics, 2013-02)

The topology of the electron density for congruent melting oxyborate Bi2ZnOB2O6 and CaBi2B 2O7 is studied in light of the theory of atoms in molecules. All the electron density critical points in the unit cell are ...
Electronic structure, optical and dielectric constant of compounds Indium-based: InAlP2, and InGaP2 in its chalcopyrite, CuPt and CuAu-I structures

Seddiki, N.; Ouahrani, Tarik; Lasri, Boumediene; Benouaz, Tayeb; Ali Hussain, Reshak, Prof. Dr.; Bouhafs, Bachir (Elsevier Ltd., 2013)

First principles calculations within the density functional theory framework were carried out to calculate electronic structures and dielectric constant predictions of InGaP2 and InAlP2 compounds. We use three arrangements ...
First and second harmonic generation of the XAl 2Se 4 (X=Zn,Cd,Hg) defect chalcopyrite compounds

Ouahrani, Tarik; Rabah, Khenata, Prof. Dr.; Lasri, Boumediene; Ali Hussain, Reshak, Prof. Dr.; Bouhemadou, Abdelmadjid (Elsevier B.V., 2012-09)

The chemical bonding of the ZnAl 2Se 4, CdAl 2Se 4 and HgAl 2Se 4 defect chalcopyrites has been studied in the framework of the quantum theory of atoms in molecules (AIM). The GW quasi-particle approximation is used to ...