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Work: First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPd3B4O12 (B = Ti, V) perovskites

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    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20234 citations
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  2. Study of structural, electronic, optical and mechanical properties of K2ScCuF6 and K2YCuF6 perovskites via DFT calculations

    Amina, Muhammad Uzair, Amir Sohail Khan +10

    ArticleHeusler alloys: electronic and magnetic propertiesResults in Physics20242 citations
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  3. Structural, electronic, mechanical, optical and thermoelectric properties of double perovskites A2CuAlCl6 (A=Cs, Rb, K) with direct bandgap using DFT study

    Tasawer Shahzad Ahmad, Nimra Ehsan, S. M. Sohail Gilani +9

    ArticlePerovskite Materials and ApplicationsMaterials Chemistry and Physics20251 citations
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  4. Sulfur substitution in BaZrO3 perovskite: A first-principles study of bandgap tuning for photovoltaic applications

    A. Hossain, M. M. Haque, Abdulla Hayitov +5

    ArticleHeusler alloys: electronic and magnetic propertiesAIP Advances20260 citations
    ABI