Browsing School of Materials Engineering (Articles) by Author "Zeyad A., Alahmed"
Now showing items 1-6 of 6
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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 ... -
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, Fermi surface and optical properties of metallic compound Be₈(B₄₈)B₂
Ali Hussain, Reshak, Prof. Dr.; Sikander, Azam; Zeyad A., Alahmed; Jan Chyský (Elsevier/NORTH-HOLLAND, 2014-02)The band structure, density of states, electronic charge density, Fermi surface and optical properties for B₈(Be₄₈)B₂ compound has been investigated in the support of density functional theory (DFT). The atomic positions ... -
Structural, chemical bonding, electronic and magnetic properties of KMF₃ (M = Mn, Fe, Co, Ni) compounds
Hayatullah; Murtaza, G.; Khenata, R.; Muhammad, S.; Ali Hussain, Reshak, Prof. Dr.; Wong, Kin Mun; Bin Omran, S.; Zeyad A., Alahmed (Elsevier, 2014-04)KMF₃ (M = Mn, Fe, Co, Ni) compounds crystallize in the cubic perovskite structure with space group Pm3m (#221) at ambient conditions. Structural, chemical bonding, electronic and magnetic properties of these compounds are ... -
X-ray photoelectron spectrum, X-ray diffraction data, and electronic structure of chalcogenide quaternary sulfide Ag2In 2GeS6: Experiment and theory
Ali Hussain, Reshak, Prof. Dr.; Kityk, Iwan V.; Parasyuk, Oleg V.; Fedorchuk, Anatolii O.; Zeyad A., Alahmed; Nasser Saleh, Alzayed; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr.; Auluck, Sushil, Dr. (Springer Science+Business Media, LLC, 2013-02)We report measurements of the X-ray diffraction and X-ray photoelectron spectrum on single crystals of Ag2In2GeS6. We also present first principles calculations of the band structure and density of states using the ...