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RESEARCH PAPER · Journal of Physics and Chemistry of Solids · 2022

Room temperature ferromagnetism and thermoelectric behavior of calcium based spinel chalcogenides CaZ2S4 (Z = Ti, V, Cr, Fe) for spintronic applications

Qasim Mahmood, Ghazanfar Nazir, Jameela Alzahrani, Nessrin Awadhallah Kattan, Samah Al‐Qaisi, Hind Mohammed Albalawi, Abeer Mera, Gaber A. M. Mersal, Mohamed M. Ibrahim, Mohammed A. Amin

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Room temperature ferromagnetism and thermoelectric behavior of calcium based spinel chalcogenides CaZ2S4 (Z = Ti, V, Cr, Fe) for spintronic applicationsOriginalFirst-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO696First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications30Comparison of Electronic and Magnetic Properties of 4d Transition Metals Based NbAl2F4 and TcAl2F4 Spinels1Thermodynamics evaluation of half-metallic ferromagnetism in N-doped XTiO3 (X = Ca, Sr, and Ba) systems: DFT calculations4Effects of Fe occupancy on physical properties of non-magnetic GeGa2O4 spinel oxide6First principles insight into physical properties of CaX2O4 (X = In, Gd) spinels for optical and spintronic applications23Theoretical study of rare earth in the spinels chalcogenide MgCe2Z4 (Z = S, Se) for spintronic and thermo-electric applications17Impact of electrons spin on ferromagnetism and thermoelectric properties of BaFe2(S/Se/Te)4 for spintronic and green energy applications15DFT calculations of opto-electronic, mechanical, thermodynamic, and transport properties of XCeO3 (X = Mg, Ca, and Ba) perovskite49Study of spin control on half metallic ferromagnetism and thermoelectric properties of MgEu2(S/Se)4 for spintronic and energy harvesting devices9Half-metallic ferromagnetism and thermoelectric effect in spinel chalcogenides SrX2S4 (X = Mn, Fe, Co) for spintronics and energy harvesting25Ab-initio evaluation of Mn doped Cs2GeCl/Br6 halides for spintronics and energy harvesting applications1Electronic structures and optical responses of Sb2S3, Ag2S, AgSbS2, and Ag3SbS3 compounds: an assessment of DFT calculations18A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies73Realization of high thermoelectric performance of black phosphorus / black arsenic hybrid heterojunction nanoscale devices by interface engineering17Study of curie temperaure, spin polarization, ferromagnetism and transport behavior of Ba2CrXO6 (X = Ta, W, Re, Os) for spintronic34Synthesis of cerium-doped magnesium spinel ferrites and study of their physical properties for photocatalytic applications under sunlight irradiation20Study of the spin-polarized electronic, exchange constant, and thermoelectric characteristics of spinels LiFe2(O/S)4 for spintronic and energy-harvesting applications5Opto‐electronic and thermophysical characteristics of A 2 TlAgF 6 (A = Rb, Cs) for green technology applications59Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)2S4; emergent spintronic aspirant16First principle investigation of half metallic ferromagnetism and thermoelectric behavior of MgSm2(S/Se)4 spinels for spintronic and energy harvesting applications9Study of magnetic, thermoelectric, and mechanical properties of double perovskites Be2XH6 (X = Cr and Mn) for spintronic and hydrogen-storage applications63A spin-polarized DFT analysis of the physical attributes of vacancy ordered Rb2TcCl6 double perovskite for optoelectronic and spintronics13First-principles study of structural, mechanical, optoelectronic and thermoelectric properties of lead-free Cs2BSnX6 (B = Mg, Cu; X = Cl, Br, I) for photo responsive RRAM devices7First principle investigation of structural, optoelectronic and thermoelectric properties of lead-free Cs2AgAuX6 (X= Br, I) for energy harvesting applications29Study of Half Metallic Ferromagnetism and Thermoelectric Properties of the Spinels MgCo2(S/Se)4 for Spintronic and Energy Harvesting5Theoretical insight into the stability, magneto-electronic and thermodynamic properties of the new half-metallic ferromagnetic compounds Cr2RbZ (Z=Ge, In and Sb): probed by DFT4Study of Curie Temperature, Ferromagnetism, and thermoelectric properties BaCo2Z4 (Z = S, Se, Te) for spintronic and energy applications7Study of half-metallic ferromagnetism and transport properties of Cs2XI6 (X = transition metals) for spintronic and energy harvesting applications12Study of Curie temperature, ferromagnetism and thermoelectric properties of spinels CdCr2X4 (X=S, Se, Te) for spintronic and energy harvesting8Study of structural, magnetic, and thermoelectric properties of rare earth-based CdCe2X4 (X = S, Se, Te) spinels for Spintronic and energy harvesting applications10Magneto-optic and photocatalytic response of CuCrX3 (X=Cl, Br, I) for energy storage applications3Half-metallic ferromagnetism and thermoelectric-efficient behavior in chalcogenide spinels MgNi 2 X 4 (X = S, Se): a first-principles approach18Mechanically robust and thermodynamically stable FeSc 2 Z 4 (Z = S, Se) spinels for future spintronic architectures7Investigation of the Structural, Mechanical, Thermal, and Magneto‐Electronic Properties of Promising Ferrite Spinel Oxides XFe2O4 (X = Ge and Sm): A First‐Principle Approach14First principles insight of Cu2CdMSe4 (M = Zr, Hf) quaternary chalcogenides as eco-friendly materials for optoelectronic and photovoltaic applications9Investigating the Physical Characteristics of Halide Double Perovskites X2LiSbI6 (X = K, Cs): A First-Principles Approach26First principle investigation of essential physical properties of stable Lead-free double perovskites Cs2AgAuX6 (X = cl, Br) for green energy applications12Electronic, magnetic, thermoelectric and optoelectronic properties of CaPr2(S/Se)4 for spintronic and energy applications2Unveiling the optoelectronic and thermoelectric properties of YAgCh2 (Ch = Se, Te): First-principles study5First principle investigations of electronic, ferromagnetic, and thermoelectric aspects of chalcogenides BeCe2X4 (X = S, Se, Te) for spintronics5Probing the Structural, Electronic, and Optical Properties of Ferromagnetic Rare-Earth-Based CdEr2S4 Spinel for Energy Harvesting Applications5Study of room temperature ferromagnetism, mechanical, thermodynamic, and thermoelectric aspects of BePr2X4 (X = S, Se, Te) for spintronic and energy devices2Ab initio study of electronic, mechanical, magnetic, and thermoelectric characteristics of Na2Nb(Cl/Br)6 for Spintronic and energy applications0First-principles insights into half-metallic ferromagnetism, lattice dynamics, and thermoelectric performance of MgX 2 Se 4 (X=Ti, Mn) spinel chalcogenides5Pressure dependent characteristics of spinels AIn 2 S 4 (A = Fe, Ni) for spintronic applications: mechanical stable, thermodynamic and spin-polarized electronic behavior0Pressure-induced mechanically, thermodynamically and structurally stable half-metallic ferromagnetic NiSc 2 X 4 (X = S and Se) spinels for spintronic applications: DFT-calculations0Optoelectronic and thermoelectric performance of YAuX2 (X = Se, Te) chalcogenides: A DFT study for advanced energy applications0

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  1. First-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO6

    Micro and Nanostructures · 2022-09-15

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  2. First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications

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  3. Comparison of Electronic and Magnetic Properties of 4d Transition Metals Based NbAl2F4 and TcAl2F4 Spinels

    Gazi University Journal of Science Part A Engineering and Innovation · 2022-12-31

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  4. Thermodynamics evaluation of half-metallic ferromagnetism in N-doped XTiO3 (X = Ca, Sr, and Ba) systems: DFT calculations

    Materials Today Communications · 2023-01-04

    Irfan Elahi, Yasemin Oztekin Ciftci, W. Akbar

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  5. Effects of Fe occupancy on physical properties of non-magnetic GeGa2O4 spinel oxide

    Journal of Physics and Chemistry of Solids · 2023-03-15

    Muhammad Rafiq, Altaf Hussain, Athar Javed, Gul Naz, Jalil-ur Rehman, Muhammad Sohail Akbar

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  6. First principles insight into physical properties of CaX2O4 (X = In, Gd) spinels for optical and spintronic applications

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    Hafsa Hafsa, Mudassir Ishfaq, Shatha A. Aldaghfag, Muhammad Shahzad Yaseen, Nasarullah, Umer Younis, Riadh Neffati

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  7. Theoretical study of rare earth in the spinels chalcogenide MgCe2Z4 (Z = S, Se) for spintronic and thermo-electric applications

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  8. Impact of electrons spin on ferromagnetism and thermoelectric properties of BaFe2(S/Se/Te)4 for spintronic and green energy applications

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  9. DFT calculations of opto-electronic, mechanical, thermodynamic, and transport properties of XCeO3 (X = Mg, Ca, and Ba) perovskite

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    Preeti Kumari, Ramesh Sharma, Hamid Ullah, Vipul Srivastava

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  10. Study of spin control on half metallic ferromagnetism and thermoelectric properties of MgEu2(S/Se)4 for spintronic and energy harvesting devices

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  11. Half-metallic ferromagnetism and thermoelectric effect in spinel chalcogenides SrX2S4 (X = Mn, Fe, Co) for spintronics and energy harvesting

    Journal of Physics and Chemistry of Solids · 2023-08-07

    Syed Awais Rouf, Hind Mohammed Albalawi, Taharh Zelai, Othman Hakami, Nessrin Awadhallah Kattan, Samah Al‐Qaisi, S. Bouzgarrou, Muhammad Younas, Khaild I. Hussein, Qasim Mahmood

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  12. Ab-initio evaluation of Mn doped Cs2GeCl/Br6 halides for spintronics and energy harvesting applications

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  13. Electronic structures and optical responses of Sb2S3, Ag2S, AgSbS2, and Ag3SbS3 compounds: an assessment of DFT calculations

    Indian Journal of Physics · 2023-09-08

    A. Benslimane, Smain Kouidri, H. Rached, Mohammed Elkeurti, S. Meliani, M. Ould Moussa

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  14. A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies

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  15. Realization of high thermoelectric performance of black phosphorus / black arsenic hybrid heterojunction nanoscale devices by interface engineering

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  16. Study of curie temperaure, spin polarization, ferromagnetism and transport behavior of Ba2CrXO6 (X = Ta, W, Re, Os) for spintronic

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  17. Synthesis of cerium-doped magnesium spinel ferrites and study of their physical properties for photocatalytic applications under sunlight irradiation

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  18. Study of the spin-polarized electronic, exchange constant, and thermoelectric characteristics of spinels LiFe2(O/S)4 for spintronic and energy-harvesting applications

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  19. Opto‐electronic and thermophysical characteristics of A 2 TlAgF 6 (A = Rb, Cs) for green technology applications

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  20. Control of spin on ferromagnetism and thermoelectric properties of Sr(V/Cr)2S4; emergent spintronic aspirant

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  21. First principle investigation of half metallic ferromagnetism and thermoelectric behavior of MgSm2(S/Se)4 spinels for spintronic and energy harvesting applications

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  22. Study of magnetic, thermoelectric, and mechanical properties of double perovskites Be2XH6 (X = Cr and Mn) for spintronic and hydrogen-storage applications

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  23. A spin-polarized DFT analysis of the physical attributes of vacancy ordered Rb2TcCl6 double perovskite for optoelectronic and spintronics

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  24. First-principles study of structural, mechanical, optoelectronic and thermoelectric properties of lead-free Cs2BSnX6 (B = Mg, Cu; X = Cl, Br, I) for photo responsive RRAM devices

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  26. Study of Half Metallic Ferromagnetism and Thermoelectric Properties of the Spinels MgCo2(S/Se)4 for Spintronic and Energy Harvesting

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  27. Theoretical insight into the stability, magneto-electronic and thermodynamic properties of the new half-metallic ferromagnetic compounds Cr2RbZ (Z=Ge, In and Sb): probed by DFT

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  28. Study of Curie Temperature, Ferromagnetism, and thermoelectric properties BaCo2Z4 (Z = S, Se, Te) for spintronic and energy applications

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  29. Study of half-metallic ferromagnetism and transport properties of Cs2XI6 (X = transition metals) for spintronic and energy harvesting applications

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  30. Study of Curie temperature, ferromagnetism and thermoelectric properties of spinels CdCr2X4 (X=S, Se, Te) for spintronic and energy harvesting

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  31. Study of structural, magnetic, and thermoelectric properties of rare earth-based CdCe2X4 (X = S, Se, Te) spinels for Spintronic and energy harvesting applications

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  42. Probing the Structural, Electronic, and Optical Properties of Ferromagnetic Rare-Earth-Based CdEr2S4 Spinel for Energy Harvesting Applications

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  48. Optoelectronic and thermoelectric performance of YAuX2 (X = Se, Te) chalcogenides: A DFT study for advanced energy applications

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