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RESEARCH PAPER · Materials Today Communications · 2021

A first-principles study of the structural, electronic, optical, and vibrational properties for paramagnetic half-Heusler compound TiIrBi by GGA and GGA + mBJ functional

Abdullah Candan, A.K. Kushwaha

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A first-principles study of the structural, electronic, optical, and vibrational properties for paramagnetic half-Heusler compound TiIrBi by GGA and GGA + mBJ functionalOriginalInvestigation of structural, electronic and elastic properties of matlockite-type SrFI under high pressure: An Ab-initio study7Structural, Magnetic, and Dielectric Properties for Mg0.6Co0.2Cu0.2FeCrO4 Spinel Ferrites Prepared Under Different Calcination Temperatures13Impact of calcination temperature on the structural, electrical, and dielectric properties of sol–gel synthesized Ni0.6Mg0.2Co0.2FeCrO4 spinel ferrites14The Influence of Calcination Temperature on Structural, Optical, and Impedance Spectroscopy Properties of Mixed Ni0.4Cd0.3Co0.3Fe2O4 Spinel Ferrites Synthesized Using the Sol–Gel Method15High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications6Machine Learning-Based Predictions for Half-Heusler Phases11Physical properties of Cd0.3Ni0.2Co0.3Cu0.2Fe2O4 spinel ferrites under different calcination temperatures13A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds24Effects of varying calcination temperatures on the optoelectronic and electrical properties of Ni0.4Cu0.4Cd0.2FeCrO4 spinel ferrites11Study of Thermal, Structural, and Above-Room-Temperature Dielectric Properties of Mg-Cd-Cu Spinel Ferrites Under Different Annealing Temperatures8First‐Principles Calculations to Investigate Structural, Electronic, Mechanical, Optical, and Magnetic Properties of RhNbSb Half‐Heusler Compound3Detailed structural study, optical, and dielectric properties of Co0.4Ni0.3Zn0.3Fe2O4 ferrite and its potential applications for optoelectronic and electronic devices10First-principles calculations on the physical properties of Zr-based perovskites LiZrH3 and KZrH3 for potential hydrogen storage applications24Improving of structural, conduction mechanisms, dielectric, optical properties of the sol–gel produced half-doped La0.5Ba0.5CrO3 perovskite for electronics devices, non-linear optical and optoelectronic applications9Deep Insights into the Thermal, Structural, Electrical, Thermodynamic, and Dielectric Properties of Ni0.6Cd0.4FeAlO4 Spinel Ferrites Synthesized Under Different Annealing Temperatures for Various Applications0Enhanced Structural, Optical, and Dielectric Properties of Cu0.4Cd0.3Co0.3Fe2O4 Spinel Ferrites for Optoelectronic and Electronic Applications11Research progress on Mn-based and Co-based Full-Heusler alloys4Revealing the potential of double perovskite hydrides A2SiH6 (A = Li and Na) for solid-state hydrogen storage applications31Unveiling the antiferromagnetic Co 2 − x Fe x CrSn ( x = 0, 0.5, 1) hexagonal Quaternary Heusler alloys: Experimental and theoretical study2Structural, optical, and dielectric studies on transition metals doping (Cu, Ni) in MgFe2O4 ferrites8Theoretical insights on thermoelectric transport properties and optical properties of half Heusler FeTaX (X = As, Sb, Sn) for low cost energy applications3Multifunctional Properties of CrFeScPb and CrFeYPb Heusler Compounds: A DFT-Based Perspective7First-principles study of K2XH4 (X= Mg, Ca) hydrides: structural, mechanical, and optoelectronic aspects for hydrogen storage applications4Tunable magnetism and strong UV absorption in CrTiX (X = Ga, In) half-Heusler compounds: Insights from first-principles calculations0The 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 Study0

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  1. Investigation of structural, electronic and elastic properties of matlockite-type SrFI under high pressure: An Ab-initio study

    Solid State Communications · 2021-05-28

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  2. Structural, Magnetic, and Dielectric Properties for Mg0.6Co0.2Cu0.2FeCrO4 Spinel Ferrites Prepared Under Different Calcination Temperatures

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    Darine Harrabi, Sobhi Hcini, Jamila Dhahri, Nejeh Hamdaoui, Raihane Charguia, M.L. Bouazizi, Sakineh Mansouri

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  3. Impact of calcination temperature on the structural, electrical, and dielectric properties of sol–gel synthesized Ni0.6Mg0.2Co0.2FeCrO4 spinel ferrites

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    Mohamed Lamjed Bouazizi, Sobhi Hcini, K. Khirouni, Fehmi Najar, Abdullah H. Alshehri

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  4. The Influence of Calcination Temperature on Structural, Optical, and Impedance Spectroscopy Properties of Mixed Ni0.4Cd0.3Co0.3Fe2O4 Spinel Ferrites Synthesized Using the Sol–Gel Method

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  5. High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications

    Crystals · 2023-09-17

    Kaja Bilińska, Maciej J. Winiarski

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  6. Machine Learning-Based Predictions for Half-Heusler Phases

    Inorganics · 2023-12-22

    Kaja Bilińska, Maciej J. Winiarski

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  7. Physical properties of Cd0.3Ni0.2Co0.3Cu0.2Fe2O4 spinel ferrites under different calcination temperatures

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  8. A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds

    Physica B Condensed Matter · 2024-02-23

    İlknur Kars Durukan, Yasemin Oztekin Ciftci, Hatice Tekin

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  9. Effects of varying calcination temperatures on the optoelectronic and electrical properties of Ni0.4Cu0.4Cd0.2FeCrO4 spinel ferrites

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    Dhouha Hcini, Sobhi Hcini, Raihane Charguia, Taher Saleh Maatallah, Fikria Jabli, Abdessalem Dhahri, K. Khirouni, Mohamed Lamjed Bouazizi

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  10. Study of Thermal, Structural, and Above-Room-Temperature Dielectric Properties of Mg-Cd-Cu Spinel Ferrites Under Different Annealing Temperatures

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  11. First‐Principles Calculations to Investigate Structural, Electronic, Mechanical, Optical, and Magnetic Properties of RhNbSb Half‐Heusler Compound

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  12. Detailed structural study, optical, and dielectric properties of Co0.4Ni0.3Zn0.3Fe2O4 ferrite and its potential applications for optoelectronic and electronic devices

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    Chaima ben Makhlouf, Mohamed Lamjed Bouazizi, Sobhi Hcini, Habib Ben Bacha, Lamjed HajTaieb, Malek GASSOUMI

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  13. First-principles calculations on the physical properties of Zr-based perovskites LiZrH3 and KZrH3 for potential hydrogen storage applications

    International Journal of Hydrogen Energy · 2025-04-24

    Abdullah Candan, S. Akbudak

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  14. Improving of structural, conduction mechanisms, dielectric, optical properties of the sol–gel produced half-doped La0.5Ba0.5CrO3 perovskite for electronics devices, non-linear optical and optoelectronic applications

    Applied Physics A · 2025-05-23

    Fakher Hcini, Jabeur Khelifi, K. Khirouni

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  15. Deep Insights into the Thermal, Structural, Electrical, Thermodynamic, and Dielectric Properties of Ni0.6Cd0.4FeAlO4 Spinel Ferrites Synthesized Under Different Annealing Temperatures for Various Applications

    Journal of Electronic Materials · 2025-06-13

    Fakher Hcini, Jabeur Khelifi, Latifa Saleh ben Ammar, K. Khirouni

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  16. Enhanced Structural, Optical, and Dielectric Properties of Cu0.4Cd0.3Co0.3Fe2O4 Spinel Ferrites for Optoelectronic and Electronic Applications

    Journal of Inorganic and Organometallic Polymers and Materials · 2025-07-09

    Nabiha Missaoui, F.I.H. Rhouma, Sobhi Hcini, Salah Knani, E.K. Hlil, Abdessalem Dhahri, K. Khirouni

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  17. Research progress on Mn-based and Co-based Full-Heusler alloys

    Solid State Sciences · 2025-07-15

    Hezhang Li, Hezhang Li, Md All Amin Newton, Chen Chen, Zhicheng Huang, Kei Hayashi, Yuzuru Miyazaki, Jing‐Feng Li, Chao Wang

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  18. Revealing the potential of double perovskite hydrides A2SiH6 (A = Li and Na) for solid-state hydrogen storage applications

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  19. Unveiling the antiferromagnetic Co 2 − x Fe x CrSn ( x = 0, 0.5, 1) hexagonal Quaternary Heusler alloys: Experimental and theoretical study

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  20. Structural, optical, and dielectric studies on transition metals doping (Cu, Ni) in MgFe2O4 ferrites

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  21. Theoretical insights on thermoelectric transport properties and optical properties of half Heusler FeTaX (X = As, Sb, Sn) for low cost energy applications

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  22. Multifunctional Properties of CrFeScPb and CrFeYPb Heusler Compounds: A DFT-Based Perspective

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  24. Tunable magnetism and strong UV absorption in CrTiX (X = Ga, In) half-Heusler compounds: Insights from first-principles calculations

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