Browsing School of Materials Engineering (Articles) by Author "maalidph@yahoo.co.uk"
Now showing items 21-40 of 76
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Electrical behaviour of MEH-PPV based diode and transistor
Ali Hussain, Reshak, Prof. Dr.; Mukhzeer, Mohamad Shahimin, Dr.; Nurjuliana, Juhari; Suppiah, S. (Elsevier Ltd., 2013-11)The potential of organic semiconductor based devices for light generation is demonstrated by the commercialisation of display technologies using organic light emitting diode (OLED). In OLED, organic materials plays an ... -
Electronic and optical properties of (Al xGa 1-x) 1-yMn yAs single crystal: A new candidate for integrated optical isolators and spintronics
Merabet, Boualem; Yarub, Al-Douri, Prof. Dr.; Abid, Hamza; Ali Hussain, Reshak, Prof. Dr. (Springer Science+Business Media, LLC, 2013-01)We have explored the electronic and optical properties of cubic (Al x Ga1-x )1-y Mn y As system using the FP-LAPW method. The unit cell has 64 atoms, so that one manganese (Mn) atom is placed in the position of gallium ... -
Electronic band structure and optical properties of titanium oxyphosphates Li0.50Co0.25TiO(PO4) single crystals: An ab-initio calculations
Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Kityk, I. V.; Khenata, R.; Auluck, S. (Elsevier Inc., 2011-08)From the refined atomic positions obtained by Belmal et al. (2004) using X-ray diffraction for Li0.50Co0.25TiO(PO4), we have performed a structural optimization by minimizing the forces acting on the atoms keeping the ... -
Electronic band structure and specific features of AA- and AB-stacking of carbon nitride (C₃N₄): DFT calculation
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan; Auluck, S. (Royal Society of Chemistry, 2014-01)The state-of-the-art all-electron full potential linear augmented plane wave based on density functional theory was applied for calculating the structural, electronic band structure, effective mass, density of state, and ... -
Electronic band structure and specific features of Sm2NiMnO6 compound: DFT calculation
Ali Hussain, Reshak, Prof. Dr.; Sikander, Azam (Elsevier BY., 2013-09)The band structure, density of states, electronic charge density, Fermi surface and optical properties of Sm2NiMnO6 compound have been investigated with the support of density functional theory (DFT). The atomic positions ... -
Electronic spectral parameters and IR nonlinear optical features of novel Ag 0.5Pb 1.75GeS 4 crystal
Kogut, Yu; Khyzhun, Oleg Yu; Parasyuk, Oleg V.; Ali Hussain, Reshak, Prof. Dr.; Lakshminarayana, Gandham; Kityk, Iwan V.; Piasecki, Michał M. (Elsevier B.V., 2012-09)In this paper, we report on novel Ag0.5Pb1.75GeS4 single crystals grown by the Bridgman–Stockbarger method. For these crystals we have performed X-ray photoelectron spectroscopy (XPS) studies of the valence-band and ... -
Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li 0.50Co 0.25TiO(PO4): An ab-initio study
Ali Hussain, Reshak, Prof. Dr.; Auluck, Sushil, Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. (Elsevier Ltd., 2012-06)The X-ray diffraction for Li 0.50Co 0.25TiO(PO 4), was used as a starting point to perform structural optimization by minimizing the forces acting on the atoms. We have performed a comprehensive theoretical study of ... -
Electronic Structure of 1,3-dicarbomethoxy4,6-benzenedicarboxylic acid: Density functional approach
Sikander, Azam; Ali Hussain, Reshak, Prof. Dr. (Electrochemical Science Group (ESG), 2013-08)Structural optimization of 1,3-dicarbomethoxy4,6-benzenedicarboxylic acid single crystal was performed by minimizing the forces which act on the atoms. The optimized geometry was used to perform the theoretical study of ... -
Electronic structure of quaternary chalcogenide Ag₂In₂Ge(Si)S₆ single crystals and the influence of replacing Ge by Si: Experimental X-ray photoelectron spectroscopy and X-ray diffraction studies and theoretical calculations
Ali Hussain, Reshak, Prof. Dr.; Khyzhun, Oleg Yu; Kityk, Iwan V.; Fedorchuk, A. O.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil, Dr.; Parasyuk, Oleg V. (American Scientific Publishers, 2013-04)Ag₂In₂GeS₆ and Ag₂InSiS₆ are two interesting quaternary-sulfide single crystals. Starting from our previous investigation on Ag₂In₂GeS₆ single crystals, the Ag₂In₂SiS₆ is investigated here. We demonstrate the effect of ... -
Electronic structure, charge density, and chemical bonding properties of C11H8N2O o-methoxydicyanovinylbenzene (DIVA) single crystal
Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Kityk, Iwan V; Sushil, Auluck, Prof (Springer US, 2013)A comprehensive theoretical density functional theory (DFT) study of the electronic crystal structure, bonding properties, electron charge density of C11H8N2O o-methoxydicyanovinylbenzene (DIVA) single crystals were ... -
Electronic structure, density of electronic states, and the chemical bonding properties of 2,4-dihydroxyl hydrazone crystals (C13H 11N3O4)
Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Sushil, Auluck, Prof (Springer Science+Business Media New York., 2013-05)Electronic crystal structure, bonding properties, and the electron charge densities of 2,4-dihydroxybenzaldehyde-4-nitrophenylhydrazone (2,4-DHNPH,C 13H11N3O4) crystal are theoretically investigated. Calculations are ... -
Electronic structure, electronic charge density and optical properties analyses of Rb₂Al₂B₂O₇ compound: DFT
Ali Hussain, Reshak, Prof. Dr.; Zeyad A., Alahmed; Sikander, Azam (ESG, 2014-01)We have presented an analysis of some important electronic and optical characteristics of the Rb₂Al₂B₂O₇ compound, based on the ab initio calculations of its electronic band structure, electronic charge density and dielectric ... -
Electronic structure, electronic charge density and optical properties of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (C₁₃H₁₀O₄S)
Sikander, Azam; Jiri, Bila; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Ali Hussain, Reshak, Prof. Dr. (ESG, 2014)The atomic positions of 3-methyl-1,4-dioxo-1, 4-dohydronaphthalen-2-yl-sulfanyl (3MDS) single crystal taken from XRD data were optimized by minimizing the forces. We make use of the optimized geometry as a starting point ... -
Electronic structure, magnetism and robust half-metallicity of new quaternary Heusler alloy FeCrMnSb
Singh, Mukhtiyar P.; Saini, Hardev S.; Ali Hussain, Reshak, Prof. Dr.; Kashyap, Manish K. (Elsevier B.V., 2013)A new quaternary Heusler alloy FeCrMnSb is identified by employing ab initio electronic structure calculations. It is stable in Y-structure which is also verified by various conditions governed by elastic constants c ij. ... -
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 ... -
Emergence of half metallicity in Cr-doped GaP dilute magnetic semiconductor compound within solubility limit
Saini, Hardev S.; Singh, Mukhtiyar P.; Ali Hussain, Reshak, Prof. Dr.; Kashyap, Manish K. (Elsevier B.V., 2012-09)The electronic and magnetic properties of Ga 1- xCr xP dilute magnetic semiconductor (DMS) compound for dopant concentration, x = 0.25, 0.125, 0.06 and 0.03 have been investigated using WIEN2k implementation of full potential ... -
Er–Pr doped tellurite glass nanocomposites for white light emitting diodes
Kityk, Ivan V; Nasser Saleh, Alzayed; Ahmed M., El-Naggar; Reben, Manuela; Wasylak, Jan; Lakshminarayana, Gandham; Ali Hussain, Reshak, Prof. Dr. (Elsevier B.V., 2012-03)In this paper, optical glass nanocomposites (nanoparticles sizes up to 100 nm) with composition TeO2–WO3– PbO–xEr2O3–yPr6O11 (x= 0.30 mol%, y= 0.70 mol%) embedded into polymer matrices was reported. The two types of ... -
Evidence of Coulomb correction and spin-orbit coupling in rare-earth dioxides CeO2, PrO2 and TbO2: An ab initio study
Mohammed Benali, Kanoun; Ali Hussain, Reshak, Prof. Dr.; Nawel, Kanoun-Bouayed; Souraya, Goumri-Said (Elsevier B.V., 2012-04)The current study investigates the structural, elastic, electronic and optical properties of CeO 2, PrO 2 and TbO 2 using the full potential (linearized) augmented plane wave plus local orbital method within the WuCohen ... -
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 ...