Browsing School of Materials Engineering (Articles) by Subject "X-ray diffraction"

Now showing items 1-3 of 3

    • 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. ...

    • Single-crystal oxoborate (Pb 3O) 2(BO 3) 2WO 4: Growth and characterization 

      Ali Hussain, Reshak, Prof. Dr.; Xuean, Chen; Auluck, Sushil, Dr.; Kamarudin, Hussin, Brig. Jen. Dato' Prof. Dr. (Elsevier Ltd, 2012-09)
      An oxoborate, (Pb 3O) 2(BO 3) 2WO 4, has been prepared by solid-state reaction methods below 620°C. Single-crystal XRD analysis shows that it crystallizes in the orthorhombic group Cmcm with a = 18.480(4) , b = 6.3567(13) ...

    • 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 ...