Browsing School of Materials Engineering (Articles) by Author "maalidph@yahoo.co.uk"
Now showing items 41-60 of 76
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First principle calculations of transition metal oxide, AgAlO2, as active photocatalyst: sustainable alternative sources of energy
Ali Hussain, Reshak, Prof. Dr. (Electrochemical Science Group (ESG), 2013)Electronic structure, optical properties and electronic charge density of transition metal oxide, AgAlO2 as active photocatalyst are calculated using full potential linearize augmented plane wave (FP-LAPW) method within ... -
First principle study of electronic structure, chemical bonding and optical properties of 5-azido-1H-tetrazole
Saleem Ayaz, Khan; Ali Hussain, Reshak, Prof. Dr. (Electrochemical Science Group (ESG), 2013)First principle calculations were performed to investigate the electronic band structure, density of states, charge density and optical properties of 5-azido-1H-tetrazole. The calculated band structure shows that the ... -
First principles study of structural, electronic and magnetic properties of Mg1-xMnxTe alloys
N. A., Noor; Shaukat Ali, Prof. Dr.; W., Tahir; A., Shaukat; Ali Hussain, Reshak, Prof. Dr. (Elsevier B.V., 2011-08-11)Density functional FP-LAPW + lo calculations have been performed to study the structural, electronic and magnetic properties of Mg1-xMn xTe for compositional parameter x = 0.25, 0.50, 0.75 and 1. Our calculations reveal ... -
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 ... -
First-principles study of the electronic structure, charge density, Fermi surface and optical properties of zintl phases compounds Sr2ZnA 2 (A=P, As and Sb)
Ali Hussain, Reshak, Prof. Dr.; Sikander, Azam (Elsevier Ltd., 2013-11)We present first-principles calculations of the electronic structure, Fermi surface, electronic charge density and optical properties of Sr 2ZnA2 (A=P, As and Sb) based on density-functional theory using the local density ... -
Influence of different exchange correlation potentials on band structure and optical constant calculations of ZrGa2 and ZrGe2 single crystals
Ali Hussain, Reshak, Prof.Dr.; Fedorchuk, Anatolii O.; Lakshminarayana, Gandham; Alahmed, Zeyad A.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil (Elsevier B.V., 2013-10)The all-electron full potential linearized augmented plane wave method was used to solve the Kohn Sham DFT equations. We have employed different approximations for the exchange correlation potentials, namely: LDA, GGA and ... -
Influence of mechanical alloying on dielectric features of ferroelectric BaTio₃ microcrystals
Ali Hussain, Reshak, Prof. Dr.; Mahmoud R., Roknabadi; Masoud, Mollaee; Mahdieh, Zaboli; Mohammad, Bedhani (ESG, 2014)Dielectric features of BaTiO₃ microcrystals made by mechanical alloying method in the ball mill of SPEX 8000 are studied. Temperature and hysteresis loops are investigated and Curie temperature as well as dielectric constant ... -
The influence of the lattice relaxation on the optical properties of GaNxAs1-x alloys
Ali Hussain, Reshak, Prof. Dr.; Charifi, Z.; Baaziz, H. (Elsevier Ltd., 2013-04)We have investigated the optical properties of the ternary alloys GaNxAs1-x (x=0.25, 0.5 and 0.75) without (we call it as case 1) and with (case 2) the lattice relaxation, using the full potential-linearized augmented plane ... -
Influence of varying Germanium content on the optical function dispersion of Fe 2MnSi xGe 1-x: An ab initio study
Ali Hussain, Reshak, Prof. Dr.; Charifi, Zoulikha; Baaziz, Hakim (Elsevier B.V., 2013-01)The optical dielectric functions of Fe 2MnSi 1-xGe x alloys for selected concentrations (x=0.0, 0.25, 0.5, 0.75 and 1.0) were investigated. The ferromagnetic Fe 2MnSi xGe 1-x is semiconducting with optical band gaps 0.507, ... -
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 ... -
Laser operated elasto-optical features of La 2CaB 10O 19:Pr 3+ polymer nanocomposites
Majchrowski, Andrzej A; Lakshminarayana, Gandham; Ali Hussain, Reshak, Prof. Dr.; Michalski, Edward A.; Olifierczuk, Marek; Oźga, Katarzyna; Jaroszewicz, Leszek R.; Lukasiewicz, Tadeusz; Szota, Michał; Nabialek, Marcin (Elsevier B.V., 2012-10)We have discovered a principal role of the polymer matrices on the spectral dependences of piezooptical coefficients of La 2CaB 10O 19:Pr 3+ (LCBO:Pr) nanocomposites formed by polymethylmethacrylate (PMMA) and polycarbonate ... -
Linear and nonlinear optical susceptibilities and hyperpolarizability of borate LiNaB 4O 7 single crystals: Theory and experiment
Ali Hussain, Reshak, Prof. Dr.; Xuean, Chen; Auluck, Sushil, Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. (American Institute of Physics., 2012-09)LiNaB 4O 7 was synthesized by employing high-temperature reaction methods. The purity of the sample was checked by x-ray powder diffraction. The optical properties were measured by analyzing the diffuse reflectance data ... -
Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment
Ali Hussain, Reshak, Prof. Dr.; Chen, Xuean; Auluck, Sushil; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Chysky, Jan; Wojciechowski, Artur; Kityk, Ivan V. (American Chemical Society, 2013-11)The single-crystal borate LiBaB9O15 was synthesized by a high-temperature solution reaction and structurally determined by the single-crystal X-ray diffraction technique. It crystallizes in the noncentrosymmetric space ... -
Linear optical susceptibilities of the oxoborate (Pb 3O) 2(BO 3) 2WO 4: Theory and experiment
Ali Hussain, Reshak, Prof. Dr.; Xuean, Chen; Auluck, Sushil, Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. (Springer Science+Business Media, 2012-08)The optical susceptibilities have been investigated experimentally and theoretically for a newly synthesized oxoborate, (Pb 3O) 2(BO 3) 2WO 4. The crystal structure is composed of one-dimensional 1 ∞ [Pb 3O] 4+ chains ... -
MgH2 and LiH metal hydrides crystals as novel hydrogen storage material: Electronic structure and optical properties energy
Ali Hussain, Reshak, Prof. Dr. (Elsevier Ltd., 2013-09)We have performed a comprehensive theoretical investigation of the electronic band structure, density of states, electronic charge density and optical properties of the novel hydrogen storage material MgH2 and LiH compounds. ... -
Morphology, analysis and properties studies of CdS nanostructures under thiourea concentration effect for photovoltaic applications
Yarub, Al-Douri, Assoc. Prof. Dr.; Jamal H., Waheb; Mohammed Ameri; Khenata, R.; Abdelmadjid, Bouhemadou; Ali Hussain, Reshak, Prof. Dr. (Electrochemical Science Group, 2013-08)CdS nanostructures are prepared by sol-gel spin coating method using different thiourea concentrations. The thiourea concentration effect for CdS nanostructures deposited on quartz substrate is studied. The CdS nanostructures ... -
Optoelectronic and thermoelectric properties of KAuX5 (X = S, Se): A first principles study
Wilayat, Khan; Ali Hussain, Reshak, Prof. Dr. (Springer US, 2014-02)The electronic structure as well as optical and thermoelectric properties of the orthorhombic polychalcogenides of gold KAuX5 (X = S, Se) compounds have been investigated using full-potential linearized augmented plane ... -
Optoelectronic properties of GaAs and AlAs under temperature effect
Yarub, Al-Douri, Assoc. Prof. Dr.; Ali Hussain, Reshak, Prof. Dr.; Uda, Hashim, Prof. Dr. (Elsevier GmbH, 2013-08)An application study of optoelectronic properties as a function of the temperature for GaAs and AlAs according to our model has been presented using empirical pseudopotential method (EPM). The structural phase transition ... -
Photoelectrical properties and the electronic structure of Tl 1-xIn1-xSnxSe2 (x = 0, 0.1, 0.2, 0.25) single crystalline alloys
Davydyuk, G. E.; Khyzhun, Oleg Yu; Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Myronchuk, G.L.; Danylchuk, S.P.; Fedorchuk, Anatolii O.; Piskach, L.V.; Mozolyuk, M.Yu.; Parasyuk, O.V. (Royal Society of Chemistry, 2013-05-14)Photoelectrical properties of Tl1-xIn1-xSn xSe2 single crystalline alloys (x = 0, 0.1, 0.2, 0.25) grown using the Bridgman-Stockbarger method were studied. The temperature dependence of electrical and photoconductivity for ... -
Photothermal poling of glass complexes Ag2S–Ga2S3–P2S5
Parasyuk, Oleg V.; Ali Hussain, Reshak, Prof. Dr.; Klymuk, T. L.; I.i., Mazurets; O.v., Zamuruyeva; G.l., Myronchuk; Owsik, Jan (Elsevier Ltd., 2013-10)The studies of the dc-electric field induced second harmonic generation (SHG) for fundamental wavelength of the Ag2S–Ga2S3–P2S5 using nanosecond Er:glass laser at wavelength 1540 nm and elevated temperatures (thermal poling) ...