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7 works

Work: Phonons and related crystal properties from density-functional perturbation theory

  1. 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
    ABI

  2. First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) NaHfXGe (X = Co, Rh, Ir)

    R. Zosiamliana, Lalrin Kima, Zodin Mawia +3

    ArticleHeusler alloys: electronic and magnetic propertiesJournal of Physics Condensed Matter20231 citations
    ABI

  3. Insight of thermodynamic properties by the substitution of alkali metal ions in X2InGaCl6 (X = K, Rb, Cs) perovskites: DFT calculation and AIMD simulation

    Asghar Hussain, Ijaz Hussain, Muhammad Khuram Shahzad +7

    ArticlePerovskite Materials and ApplicationsThe Journal of Chemical Thermodynamics20261 citations
    ABI

  4. Pursuit of stability, electronic and thermoelectric properties of novel PdVGa half heusler compound

    Bindu Rani, Aadil Fayaz Wani, Shakeel Ahmad Khandy +4

    ArticleHeusler alloys: electronic and magnetic propertiesSolid State Communications20220 citations
    ABI

  5. Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li<sub>2</sub>GePbH<sub>6</sub> hydride perovskite: a DFT investigation

    Asghar Hussain, Muhammad Khuram Shahzad, Abhinav Kumar +8

    ArticleHydrogen Storage and MaterialsNew Journal of Chemistry20250 citations
    ABI

  6. 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

  7. First-principles identification of PtTiGe and PtTiPb as high-efficiency thermoelectric half-Heuslers

    Mumtaz Manzoor, Ali B.M. Ali, Ramesh Sharma +5

    ArticleHeusler alloys: electronic and magnetic propertiesScientific Reports20260 citations
    ABI