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12 ta ish

Ish: First-principles Phonon Calculations with Phonopy and Phono3py

  1. Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr<sub>3</sub>NBr<sub>3</sub> perovskites for solar cell applications

    Amina, Naseem Akhter, Salhah Hamed Alrefaee +9

    MaqolaPerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20254 iqtibos
    ABI

  2. Insight into Structural, Electronic, Elastic and Optical Properties of Thallium Based Perovskite TlXBr3 (X = Ti, Zr) via DFT Study for Reflective Coating

    A.M. Quraishi, Amina, Sajid Khan +10

    MaqolaPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20242 iqtibos
    ABI

  3. <scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +5

    MaqolaMXene and MAX Phase MaterialsInfoMat20252 iqtibos
    ABI

  4. Structural, Electronic and Optical Properties of Altermagnet Bulk <scp>MnBr<sub>2</sub></scp>

    Ghaferah H. Al‐Hazmi, Abid Zaman, Naseem Akhter +7

    MaqolaHeusler alloys: electronic and magnetic propertiesInternational Journal of Quantum Chemistry20252 iqtibos
    ABI

  5. Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials

    Ehsan Alibagheri, Mohammad Khazaei, Bassam Rabihavi +3

    MaqolaMachine Learning in Materials ScienceACS Materials Letters20250 iqtibos
    ABI

  6. Data-driven discovery of novel synthesizable MAX phase materials

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +3

    MaqolaMXene and MAX Phase MaterialsApplied Materials Today20250 iqtibos
    ABI

  7. First-Principles Investigation of Structural, Electronic, Mechanical and Optical Properties of Tl Based Semiconducting Perovskites TlVX3 (X = Br, I) for Reflective Coating Applications

    Amina, Kakul Husain, Salhah Hamed Alrefaee +9

    MaqolaPerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 iqtibos
    ABI

  8. Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

    I. N. Nurgaliev, M. B. Marasulov, Z. N. Zhulliev +2

    MaqolaPerovskite Materials and ApplicationsJournal of Structural Chemistry20250 iqtibos
    ABI

  9. Multifunctional Janus Mo2SSeO monolayer with room temperature altermagnetism, high thermoelectric efficiency, and strain tunable valley polarization

    Besma Graba, Salhah Hamed Alrefaee, Hifsa Shahid +5

    Maqola2D Materials and ApplicationsJournal of Physics and Chemistry of Solids20260 iqtibos
    ABI

  10. Multi-piezo effects and enhanced thermoelectric properties in an altermagnetic Cr2SeTeO monolayer

    Vineet Tirth, Salhah Hamed Alrefaee, Hifsa Shahid +6

    Maqola2D Materials and ApplicationsJournal of Physics and Chemistry of Solids20260 iqtibos
    ABI

  11. Intercalation-induced ferromagnetism and anomalous hall conductivity in Li-intercalated CrS2 bilayers

    Besma Graba, Salhah Hamed Alrefaee, Aeshah Alrubayyi +5

    Maqola2D Materials and ApplicationsFlatChem20260 iqtibos
    ABI

  12. Altermagnetism, giant ferroelectric polarization, and pronounced optical response in TiMnO3 perovskite

    Vineet Tirth, Kakul Husain, Salhah Hamed Alrefaee +5

    MaqolaMultiferroics and related materialsJournal of Physics and Chemistry of Solids20260 iqtibos
    ABI