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12 works

Work: 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

    ArticlePerovskite Materials and ApplicationsPhysical Chemistry Chemical Physics20254 citations
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  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

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20242 citations
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  3. <scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +5

    ArticleMXene and MAX Phase MaterialsInfoMat20252 citations
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  4. Structural, Electronic and Optical Properties of Altermagnet Bulk <scp>MnBr<sub>2</sub></scp>

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

    ArticleHeusler alloys: electronic and magnetic propertiesInternational Journal of Quantum Chemistry20252 citations
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  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

    ArticleMachine Learning in Materials ScienceACS Materials Letters20250 citations
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  6. Data-driven discovery of novel synthesizable MAX phase materials

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +3

    ArticleMXene and MAX Phase MaterialsApplied Materials Today20250 citations
    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

    ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 citations
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  8. Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

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

    ArticlePerovskite Materials and ApplicationsJournal of Structural Chemistry20250 citations
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  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

    Article2D Materials and ApplicationsJournal of Physics and Chemistry of Solids20260 citations
    ABI

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

    Vineet Tirth, Salhah Hamed Alrefaee, Hifsa Shahid +6

    Article2D Materials and ApplicationsJournal of Physics and Chemistry of Solids20260 citations
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  11. Intercalation-induced ferromagnetism and anomalous hall conductivity in Li-intercalated CrS2 bilayers

    Besma Graba, Salhah Hamed Alrefaee, Aeshah Alrubayyi +5

    Article2D Materials and ApplicationsFlatChem20260 citations
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  12. Altermagnetism, giant ferroelectric polarization, and pronounced optical response in TiMnO3 perovskite

    Vineet Tirth, Kakul Husain, Salhah Hamed Alrefaee +5

    ArticleMultiferroics and related materialsJournal of Physics and Chemistry of Solids20260 citations
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