Browsing School of Materials Engineering (Articles) by Author "maalidph@yahoo.co.uk"
Now showing items 1-20 of 76
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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 ... -
Absorption and photoconductivity spectra of Ag 2GeS 3 crystal: Experiment and theory
Ali Hussain, Reshak, Prof. Dr.; Auluck, Sushil, Dr.; Piasecki, Michał M.; Myronchuk, G. L.; Parasyuk, O.; Kityk, Iwan V; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. (Elsevier B.V., 2012-07)Spectral features of polycrystalline Ag 2GeS 3 samples synthesized from high-purity elements (at least 99.99 wt.% purity) in quartz ampoules evacuated to 0.1 Pa were explored. The band energy gap of Ag 2GeS 3 crystals ... -
Accounting oxygen vacancy for half-metallicity and magnetism in Fe-doped CeO2 dilute magnetic oxide
Saini, Hardev S.; Singh, Mukhtiyar P.; Ali Hussain, Reshak, Prof. Dr.; Kashyap, Manish K. (Elsevier B.V., 2013)The present work explores the electronic and magnetic properties of Ce 1-xFexO2 (x = 0.125 and 0.06) with and without oxygen vacancies by full potential linear augmented plane wave method (FPLAPW) based on density functional ... -
Acentric nonlinear optical 2,4-dihydroxyl hydrazone isomorphic crystals with large linear, nonlinear optical susceptibilities and hyperpolarizability
Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil, Dr. (American Chemical Society, 2012-04)A systematic ab initio study of the linear, nonlinear optical susceptibilities, and hyperpolarizability of noncentrosymmetric-monoclinic 2,4-dihydroxyl hydrazone isomorphic crystals (DHNPH) within density functional theory ... -
Amino acid 2-aminopropanoic CH 3CH(NH 2)COOH crystals: Materials for photo- and acoustoinduced optoelectronic applications
Ali Hussain, Reshak, Prof. Dr.; Lakshminarayana, Gandham; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Kityk, Iwan V.; Auluck, Sushil, Dr.; Berdowski, Janusz M.; Tylczynski, Zbigniew (Springer Science+Business Media, LLC, 2012-10)Photo-induced treatment of L-alanine single crystals grown by slow evaporation method at an ambient temperature was performed using a 25 ps Nd:YAG pulsed laser in the presence of an external acoustic filed. The changes of ... -
Band structure, density of states, and crystal chemistry of ZrGa₂ and ZrGa₃ single crystals
Ali Hussain, Reshak, Prof. Dr.; Lakshminarayana, Gandham; Ebothe, Jean; Fedorchuk, Anatolii O.; Fedyna, M.F.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Mandracci, P.; Auluck, Sushil, Dr. (Elsevier, 2013-04)Using FP-LAPW Method we have performed calculations of the band structure of the ZrGa₂ and ZrGa₃ crystals. The all-electron full potential linearized augmented plane wave method was used to solve the Kohn Sham DFT equations. ... -
Bismuth in gallium arsenide: Structural and electronic properties of GaAs 1-xBi x alloys
Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil, Dr. (Elsevier Inc., 2012-02)The structural and electronic properties of cubic GaAs 1-xBi x alloys with bismuth concentration 0.0, 0.25, 0.50, 0.75 and 1.0 are studied using the 'special quasi-random structures' (SQS) approach of Zunger along with the ... -
Calculation of the lattice constant of hexagonal compounds with two dimensional search of equation of state and with semilocal functionals a new package (2D-optimize)
Ali Hussain, Reshak, Prof. Dr.; Morteza, Jamal (Elsevier B.V., 2013-04-05)A new package for calculating lattice constants and equation of state for hexagonal and tetragonal structure is released. We call it as 2D-optimize. The new package is compatible with the highly accurate all-electron ... -
Comparative study on human and bovine AT-SC isolation methods
Ali Hussain, Reshak, Prof. Dr.; Mukhzeer, Mohamad Shahimin, Dr.; Fhataheya, Buang (Elsevier Ltd., 2013-11)Mammalian adipose tissue derived stem cells (AT-SC) have a tremendous potential in regenerative medicine for tissue engineering and somatic nuclear transfer (SNT). The isolation methods of human and bovine adipose tissue ... -
Copper ion-exchanged channel waveguides optimization for optical trapping
Ali Hussain, Reshak, Prof. Dr.; Khor, Kang Nan; Mukhzeer, Mohamad Shahimin, Dr.; Sohiful Anuar, Zainol Murad, Dr. (Elsevier Ltd., 2013-08)Optical trapping of particles has become a powerful non-mechanical and non-destructive technique for precise particle positioning. The manipulation of particles in the evanescent field of a channel waveguide potentially ... -
Crystallochemical affinity and optical functions of ZrGa2 and ZrGa3 compounds
Ali Hussain, Reshak, Prof. Dr.; Kityk, Iwan V.; Ebothe, Jean; Fedorchuk, Anatolii O.; Fedyna, M.F.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil, Dr. (Elsevier B.V., 2012-01)The influence of crystallochemical affinity for crystals ZrGa2 and ZrGa3 on the optical properties was studied. We have calculated dispersion of optical constants ε2average(ω). We have established that application of ... -
Density of electronic states and dispersion of optical functions of defect chalcopyrite CdGa2X4 (X = S, Se): DFT study
Ali Hussain, Reshak, Prof. Dr.; Saleem Ayaz, Khan (Elsevier Limited, 2013)A density functional theory (DFT) based on full potential linear augmented plane wave (FPLAPW) was used for calculating the electronic structure, charge density and optical properties of CdGa2X4 (X = S, Se) compounds. Local ... -
DFT calculation for elastic constants of orthorhombic structure within WIEN2K code: A new package (ortho-elastic)
Ali Hussain, Reshak, Prof. Dr.; Morteza, Jamal (Elsevier B.V., 2012-12)A new package for calculating the elastic constants of orthorhombic structure is released. The package called ortho-elastic. The formalism of calculating the ortho-elastic constants is described in details. The package is ... -
DFT calculation of the electronic and optical properties of Ag 2PdO2 from X-ray and neutron crystallographic data
Zeyad A., Alahmed; Ali Hussain, Reshak, Prof. Dr. (Elsevier B.V., 2013)Electronic and optical properties of ternary silver palladium oxide (Ag2PdO2) are investigated using density functional theory. Two different possible approximations for the exchange correlation potentials were employed. ... -
DFT calculation of the electronic structure and optical properties of two strontium germanium nitrides: α-Sr2GeN2 and β-Sr2GeN2
Zeyad A., Alahmed; Ali Hussain, Reshak, Prof. Dr. (Elsevier B.V., 2013-05-15)The existence of α-Sr2GeN2 and β-Sr 2GeN2 were reported recently with their structural properties. In this paper, electronic and optical properties have been investigated using density functional theory. The Perdew-Burke-Ernzerhof ... -
Disorder dependent half-metallicity in Mn2CoSi inverse Heusler alloy
Singh, Mukhtiyar P.; Saini, Hardev S.; Thakur, Jyoti; Ali Hussain, Reshak, Prof. Dr.; Kashyap, Manish K. (Elsevier Ltd., 2013)Heusler alloys based thin-films often exhibit a degree of atomic disorder which leads to the lowering of spin polarization in spintronic devices. We present ab-initio calculations of atomic disorder effects on spin ... -
Dispersion of the linear and nonlinear optical susceptibilities of disilver germanium sulfide from DFT calculations
Ali Hussain, Reshak, Prof. Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil, Dr. (Springer Science+Business Media New York., 2013-03)The dispersion of the linear and nonlinear optical susceptibilities is calculated for disilver germanium sulfide (Ag2GeS3) using the all-electron full potential linearized augmented plane wave (FP-LAPW) method. Calculations ... -
Drift and diffusion component studies in cdte structure for photovoltaic application
Ali Hussain, Reshak, Prof. Dr.; Mukhzeer, Mohamad Shahimin, Dr.; Fauzi, I. F. (ESG, 2014-01)A photovoltaic cell is designed to convert sunlight into electrical energy through the photoelectric effect. Solar cells are the most attractive source to harness solar energy; it is not only has high efficiency, but also ... -
Effect of cation substitution on electronic band structure of ZnGeAs 2 pnictides: A mBJLDA approach
Saini, Hardev S.; Singh, Mukhtiyar P.; Ali Hussain, Reshak, Prof. Dr.; Kashyap, Manish K. (Elsevier B.V., 2012-03)The electronic properties of ABAs 2 (A = Zn, Cd; B = Ge, Sn) compounds have been investigated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method with an aim to study the effect ... -
Effect of increasing tellurium content on the electronic and optical properties of cadmium selenide telluride alloys CdSe1-xTe x: An ab initio study
Ali Hussain, Reshak, Prof. Dr.; Kityk, I. V.; Khenata, R.; Auluck, S. (Elsevier B.V., 2011-06-16)An all electron full potential linearized augmented plane wave method, within a framework of GGA (EV-GGA) approach, has been used for an ab initio theoretical study of the effect of increasing tellurium content on the band ...