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Work: First principles methods for elpasolite halide crystal structure prediction at finite temperatures

  1. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    ArticlePerovskite Materials and ApplicationsChemical Physics202411 citations
    ABI

  2. Unveiling the Multifunctional Features of Cs <sub>2</sub> LiMoX <sub>6</sub> (X = Cl and Br) for Green Energy Applications: A DFT Study

    Ibad Ur Rehman, Ali B. M. Ali, Ejaz Ahmad Khera +6

    ArticleHeusler alloys: electronic and magnetic propertiesJournal of the American Ceramic Society20260 citations
    ABI