Browsing Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles) by Author "Jha, Prafulla Kumar"

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    • 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 ...