Browsing School of Materials Engineering (Articles) by Author "Rabah, Khenata, Prof. Dr."
Now showing items 1-8 of 8
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An ab initio density functional study of the optical functions of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystals
Ali Hussain, Reshak, Prof. Dr.; Kityk, Iwan V.; Rabah, Khenata, Prof. Dr.; Yarub, Al-Douri, Assoc. Prof. Dr.; Auluck, Sushil, Dr. (Elsevier B.V., 2012-09)An ab initio investigation of the optical constants of 9-Methyl-3-Thiophen- 2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystal is performed within a framework of local density ... -
Characterizations on the effect of processing of polymers blend with petroleum coke (part I)
Sharifah Shahnaz, Syed Abu Bakar, Dr; Rabah, Khenata, Prof. Dr.; Veena, Sahajwalla; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Nik Noriman, Zulkepli, Dr.; Sam, Sung Ting, Dr. (Trans Tech Publications, 2013)Global demand for plastics has grown significantly over the past decades, and will continue to expand with rising income levels in emerging economies; a number of approaches have been used to recycle polymer waste. While ... -
External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX(X=S, Se and Te)
Seddik, T.; Rabah, Khenata, Prof. Dr.; Abdelmadjid, Bouhemadou; Guechi, N.; Sayede, Adlane D.; Varshney, Dinesh; Yarub, Al-Douri, Assoc. Prof. Dr.; Ali Hussain, Reshak, Prof. Dr.; Bin-Omran, S. (Elsevier B.V., 2013)The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: ... -
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 ... -
First-principles study of structural stabilities, elastic and electronic properties of transition metal monocarbides (TMCs) and mononitrides (TMNs)
Rached, Habib; Rached, Djamel; Benalia, S.; Ali Hussain, Reshak, Prof. Dr.; Rabah, M. Zouaoui; Rabah, Khenata, Prof. Dr.; Bin-Omran, S. (Elsevier Ltd., 2013-12)The structural stabilities, elastic and electronic properties of 5d transition metal mononitrides (TMNs) XN with (X = Ir, Os, Re, W and Ta) and 5d transition metal monocarbides (TMCs) XC with (X = Ir, Os, Re and Ta) were ... -
Insulator to metal transition and optical response of CsCl under pressure
Naeemullah; Murtaza, Ghulam; Rabah, Khenata, Prof. Dr.; Ali Hussain, Reshak, Prof. Dr.; Naeem, S.; Madiha N., Khalid (World Scientific Publishing Company, 2014-03)First principle calculations on cesium chloride (CsCl) compound have been performed using state of the art full potential linearized augmented plane wave (FP-LAPW) method. Calculated structural parameters are found in ... -
Structural, elastic, electronic and optical properties of Cu3TMSe4 (TM = V, Nb and Ta) sulvanite compounds via first-principles calculations
K., Bougherara; F., Litimein; Rabah, Khenata, Prof. Dr.; Ercan, Uçgun; Hamza Yaşar, Ocak; Şule, Uǧur; Gökay, Uǧur; Ali Hussain, Reshak, Prof. Dr.; Fethi, Soyalp; Saad, Binomran (American Scientific Publishers, 2013-01)The structural and optoelectronic properties of the cubic Cu3TMSe4 (TM = V, Nb and Ta) sulvanite compounds have been calculated using a full-potential augmented plane wave plus local orbitals (FP-APW+lo) method within the ... -
Theoretical investigation of the elastic, thermodynamic, electronic and magnetic properties of PrNi 2Si 2 and PrNi 2Ge 2
Righi, H.; Rached, Djamel; Benalia, S.; Rabah, Khenata, Prof. Dr.; S, Omran; Ali Hussain, Reshak, Prof. Dr. (Elsevier B.V., 2012-03)The structural, elastic, thermodynamic, electronic and magnetic properties of ferromagnetic tetragonal PrNi 2Si 2 and PrNi 2Ge 2 compounds have been calculated using the full-potential linear muffin-tin orbital (FP-LMTO) ...