Browsing School of Materials Engineering (Articles) by Author "Mandracci, P."

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    • 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. ...