Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Author "murtaza@icp.edu.pk"

Now showing items 1-3 of 3

    • 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 ...

    • 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 ...

    • Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO4 determined via DFT calculations 

      Litimein, F; Rabah, Khenata, Prof. Dr.; Gupta, Sanjeev Kumar, Prof.; Murtaza, Ghulam, Assoc. Prof.; Ali Hussain, Reshak, Prof. Dr.; Abdelmadjid, Bouhemadou; Saad, Binomran; Masood, Yousaf; Jha, Prafulla Kumar (Springer Science+Business Media New York., 2014-11)
      We performed ab initio calculations using the FPLAW method with the local density approximation (LDA) implemented in the WIEN2 k code for the orthorhombic (α) and triclinic (β) phases of BiNbO4. The modified Becke-Johnson ...