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7 ta ish

Ish: 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

    MaqolaPerovskite Materials and ApplicationsAdvanced Theory and Simulations20231 iqtibos
    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

    MaqolaHeusler alloys: electronic and magnetic propertiesJournal of Physics Condensed Matter20231 iqtibos
    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

    MaqolaPerovskite Materials and ApplicationsThe Journal of Chemical Thermodynamics20261 iqtibos
    ABI

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

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

    MaqolaHeusler alloys: electronic and magnetic propertiesSolid State Communications20220 iqtibos
    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

    MaqolaHydrogen Storage and MaterialsNew Journal of Chemistry20250 iqtibos
    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

    MaqolaHeusler alloys: electronic and magnetic propertiesAIP Advances20260 iqtibos
    ABI

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

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

    MaqolaHeusler alloys: electronic and magnetic propertiesScientific Reports20260 iqtibos
    ABI