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10 works

Work: Theoretical predictions of structure and related properties of intermetallics

  1. First principles study on the structural, electronic, mechanical and optical properties of Pb-free double perovskites M2FeMnO6 (M = Rb, Cs)

    Shereen M. Al‐Shomar, Kakul Husain, Aryan Dilawar Khan +8

    ArticleHeusler alloys: electronic and magnetic propertiesInorganic Chemistry Communications20243 citations
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  2. A Halide‐Based Perovskite CsGeX<sub>3</sub> (X = Cl, Br, and I) for Optoelectronic and Piezoelectric Applications

    L. Celestine, R. Zosiamliana, Shivraj Gurung +4

    ArticlePerovskite Materials and ApplicationsAdvanced Theory and Simulations20231 citations
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  3. Structural, Electronic, Optical and Elastic Characteristics of Cubic Perovskites TlXBr3 (X = Cu, Ag): A First Principles Calculations

    Ghaferah H. Al‐Hazmi, Amina, Albandary Almahri +9

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20241 citations
    ABI

  4. Exploring the structural, electronic, mechanical, magnetic and optical properties of Cs-based hydride-perovskites CsXH3 (X = Cr, Mn) for hydrogen storage application

    Ali Algahtani, Maryam Liaqat, Amina +10

    ArticleHydrogen Storage and MaterialsInorganic Chemistry Communications20241 citations
    ABI

  5. Probing the physical properties of novel lead-free double perovskites A<sub>2</sub>NaAsCl<sub>6</sub> (A = K and Rb): a first-principles approach

    Nazia Erum, Ramesh Sharma, Abhinav Kumar +3

    ArticlePerovskite Materials and ApplicationsNew Journal of Chemistry20251 citations
    ABI

  6. Computational study of the physical characteristics of Si-based oxide perovskites for energy generation using DFT

    Amjad Ali Pasha, Hukam Khan, Mohammad Sohail +7

    ArticlePerovskite Materials and ApplicationsMaterials Advances20230 citations
    ABI

  7. Theoretical study on the physical properties of synthesized SrMO <sub>3</sub> (M = Hf and Pt) oxide perovskites using DFT

    Amjad Ali Pasha, Musawer Iqbal, Hukam Khan +8

    ArticleHeusler alloys: electronic and magnetic propertiesRSC Advances20230 citations
    ABI

  8. Ultrasonic Interactions with Microstructural Defects in Platinum Group Metal Nitrides

    Rakesh Kumar, Devraj Singh, Sudhanshu Tripathi +2

    ArticleMetal and Thin Film MechanicsJohnson Matthey Technology Review20240 citations
    ABI

  9. Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion

    Sarika Bajpai, Ali B.M. Ali, Preeti Kumari +6

    ArticleHeusler alloys: electronic and magnetic propertiesPolyhedron20250 citations
    ABI

  10. Exploring the physical features through computational understanding of ternary oxide perovskite BJO3(J=CrandMn) crystals using the TB-mBJ method

    Fekhra Hedhili, Hukam Khan, Sattam Al Otaibi +7

    ArticleX-ray Diffraction in CrystallographyInternational Journal of Modern Physics B20250 citations
    ABI