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RESEARCH PAPER · Materials Today Communications · 2025

Impact of spin–orbit coupling on structural, mechanical, electronic, thermoelectric and thermodynamic properties of VIr-based half-Heusler compounds: Ab initio study

Fatima Sidjilani, Fadila Belkharroubi, Yarub Al-Douri, F. Hamdache, Friha Khelfaoui, H. Benaissa, Mokhtar Bourdim, Toufik Nouri, Samia Bahlouli, Sid Ahmed Bendella, Anis Samy Amine Dib

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Impact of spin–orbit coupling on structural, mechanical, electronic, thermoelectric and thermodynamic properties of VIr-based half-Heusler compounds: Ab initio studyOriginalComprehensive first-principles studies of structural, dynamical, elastic, electronic, thermoelectric, and thermodynamic properties of Half-Heusler TiGaAu compound10Potassium transition-metal bromide perovskites: computational design of half-metallic photocatalysts with exceptional visible-light absorption and water oxidation capability0The Impact of Spin–Orbit Coupling on the Structural, Mechanical, Electronic, and Optical Properties of MCoBi (M = Ti, Zr, Hf) Half-Heusler Compounds: A FP-LAPW Study0Multifunctional response of SrZrO₃ under extreme compression: structural, phonon, optical, and thermoelectric insights0

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  1. Comprehensive first-principles studies of structural, dynamical, elastic, electronic, thermoelectric, and thermodynamic properties of Half-Heusler TiGaAu compound

    Modern Physics Letters B · 2026-03-07

    Raghed Belbachir, Fadila Belkharroubi, Yarub Al-Douri, Fatima Sidjilani, Friha Khelfaoui, Saliha Azzi, N. Belmiloud, Rabea Rahmani, Adel Abdellah El Hadj, Sid Ahmed Bendella

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  2. Potassium transition-metal bromide perovskites: computational design of half-metallic photocatalysts with exceptional visible-light absorption and water oxidation capability

    Optical and Quantum Electronics · 2026-05-29

    Mohamed El Amine El Goutni, Sahar Abdalla, Mohammed Batouche, Hela Ferjani, Mohamed Houcine Dhaou, Abdulrahman Alsawi

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  3. The Impact of Spin–Orbit Coupling on the Structural, Mechanical, Electronic, and Optical Properties of MCoBi (M = Ti, Zr, Hf) Half-Heusler Compounds: A FP-LAPW Study

    Crystals · 2026-07-28

    Sara Lazghed, F. Annane, Akila Boumaza, Hocine Meradji, Sebti Ghemid

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  4. Multifunctional response of SrZrO₃ under extreme compression: structural, phonon, optical, and thermoelectric insights

    Chemical Papers · 2026-08-04

    Abhay Prakash Srivastava, Brijesh K. Pandey, Saurav Mishra

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