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RESEARCH PAPER · Materials Today Communications · 2024

Half metallic ferromagnetic and transport behavior of rare earth based CdGd2(S/Se)4 spinels

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Half metallic ferromagnetic and transport behavior of rare earth based CdGd2(S/Se)4 spinelsOriginalDFT‐Based Investigation of Electronic, Optical, and Thermoelectric Properties of TaCu 3 X 4 (X = S, Se, Te) Chalcogenides for Optoelectronic and Energy Applications5Effect of X (X = Sb, N, B) doping on structural, electronic, optical, photocatalytic, and thermoelectric properties of spinel CdIn2S4 for energy harvesting: A DFT approach19Spin-polarized analysis of ferromagnetism, optoelectronic and transport characteristics of HgGd2(S/Se)4 spinels: DFT-calculations4Impact of complete sulfur substitution by selenium and tellurium on the structural, electronic, optical, and photocatalytic properties of CaAl 2 S 4 : A DFT investigation18Interface polarization in two-dimensional MnS-based antiferromagnetic tunnel junctions0Theoretical Investigation of Semiconducting CdTi2X4 (X = S, Se) Ferromagnetic Spinels as Multifunctional energy materials: A DFT study3First-principles insights into half-metallic ferromagnetism, lattice dynamics, and thermoelectric performance of MgX 2 Se 4 (X=Ti, Mn) spinel chalcogenides5Structural, Optoelectronic, Thermoelectric, and Mechanical Properties of Orthorhombic RbAgX (X = S, Se, Te) Chalcogenides: A First‐Principles Study1

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  1. DFT‐Based Investigation of Electronic, Optical, and Thermoelectric Properties of TaCu 3 X 4 (X = S, Se, Te) Chalcogenides for Optoelectronic and Energy Applications

    International Journal of Energy Research · 2025-01-01

    Issam El Bakkali, Abdelali Talbi, Mohamed Louzazni, Amina Lemnawar, Khalid Nouneh

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  2. Effect of X (X = Sb, N, B) doping on structural, electronic, optical, photocatalytic, and thermoelectric properties of spinel CdIn2S4 for energy harvesting: A DFT approach

    Materials Science and Engineering B · 2025-01-10

    Ibtissam Jamaï, Naoual Bekkioui, Meryem Ziati, Hamid Ez-zahraouy A

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  3. Spin-polarized analysis of ferromagnetism, optoelectronic and transport characteristics of HgGd2(S/Se)4 spinels: DFT-calculations

    Materials Today Communications · 2025-01-19

    M. Ammar Yasir, Naveed Ahmad Noor, Muhammad Aslam Khan, Shanawer Niaz, Sohail Mumtaz, Ihab Mohamed Moussa, Hamid Ullah

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  4. Impact of complete sulfur substitution by selenium and tellurium on the structural, electronic, optical, and photocatalytic properties of CaAl 2 S 4 : A DFT investigation

    Materials Today Communications · 2025-07-29

    Aya Chelh, Boutaina Akenoun, Smahane Dahbi, Ibtissam Jamaï, Inass Amghar, H. Ouichou, Naoual Bekkioui, Hamid Ez-zahraouy A

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  5. Interface polarization in two-dimensional MnS-based antiferromagnetic tunnel junctions

    Journal of Magnetism and Magnetic Materials · 2025-07-29

    Keqian He, Xiao Liu, Tingping Hou, Sicong Zhu

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  6. Theoretical Investigation of Semiconducting CdTi2X4 (X = S, Se) Ferromagnetic Spinels as Multifunctional energy materials: A DFT study

    Results in Engineering · 2025-09-17

    Ghulam M. Mustafa, Aiman Ayaz, Naveed Ahmad Noor, Sohail Mumtaz, A. Laref, A. Ibrahim

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  7. First-principles insights into half-metallic ferromagnetism, lattice dynamics, and thermoelectric performance of MgX 2 Se 4 (X=Ti, Mn) spinel chalcogenides

    RSC Advances · 2026-01-01

    Ashiq Ramzan, Mudasir Younis Sofi, Mohd. Shahid Khan, M. Ajmal Khan

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  8. Structural, Optoelectronic, Thermoelectric, and Mechanical Properties of Orthorhombic RbAgX (X = S, Se, Te) Chalcogenides: A First‐Principles Study

    Luminescence · 2026-05-01

    Faiq Umar, Sikander Azam, Waseem Khan, Muhammad Farooq Nasir

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