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RESEARCH PAPER · Journal of Materials Research and Technology · 2021

Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phase

Hafiz Muhammad Tahir Farid, Abeer Mera, Tahani I. Al‐Muhimeed, Abeer A. AlObaid, Hind Mohammed Albalawi, Hosameldin Helmy Hegazy, Syeda Rabia Ejaz, Rabia Yasmin Khosa, Shahid Mehmood, Zahid Ali

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Optoelectronic and thermoelectric properties of A3AsN (A = Mg, Ca, Sr and Ba) in cubic and orthorhombic phaseOriginalThe electrical, dielectric and magnetic effect of strontium-substituted spinel ferrites for high-frequency applications23RETRACTED ARTICLE: The study of structural, magnetic and dielectric properties of spinel ferrites for microwave absorption applications44Electrical, magnetic and dielectric properties of strontium-substituted spinel ferrites6Structural and magnetic properties of samarium-substituted spinel ferrites5Synthesis and characterization of copper-based spinel ferrites for high frequency applications28Electronic structure, optical, thermoelectric and magnetic properties of A2CdP2 (A = Ca, Sr and Ba) n-type narrow band gap semiconductors11Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations45RETRACTED ARTICLE: The structural, dielectric and magnetic study of cobalt based spinel ferrites and polypyrrole composites20Study on active sites of Mn-doped iron selenide on pencil electrode for electrocatalytic water splitting11Insights into the physical properties of newly synthesized AMn2P2 (A= Ca, Sr) via density functional theory11Anti-perovskite nitrides and oxides: Properties and preparation44RETRACTED: Study of CoCe0.05Fe1.95O4-polypyrrole composite for efficient electromagnetic interference shielding8The structural and dielectric properties of lanthanum substituted strontium based spinel ferrites nano-materials for high frequency device applications39RETRACTED: Synthesis of composites and their characterization for high-frequency applications24Enhancement in the optoelectronic and thermoelectric properties of the NaASb (A= Ca, Sr and Ba) Sodium Antimonides via switching from P4/nmm to P62 m symmetry6Synthesis and characterization of BaGd0.075Fe1.925O4/polypyrrole composites for EMI shielding9Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies78Anti-perovskites for photovoltaics: materials development and challenges25Unveiling the DFT perspectives on structural, elastic, electronic, optical and thermal properties of XMn2As2 (X = Ca, Sr)10Theoretical insights into inorganic antiperovskite nitrides ( X 3 N A : X = Mg, Ca, Sr, Ba; A = As, Sb): An emerging class of materials for photovoltaics8Exploring the Elastic, Magnetic, Thermodynamic and Electronic Properties of XNNi3 (X: Cd, In) Cubic Anti-Perovskites0First-principles design and photovoltaic evaluation of alkali-based M 3 ClO anti-perovskites for high-efficiency lead-free solar cells7Is Mg 3 AsN antiperovskite a promising Mg-ion conductor?10Exploring a new perovskite chalcogenide compound LaScSe3: A promising material for optoelectronic and thermoelectric applications2Modulating the electronic and optical properties of InGeF3 perovskite under pressure: a computational approach6First-principles calculations of the mechanical, electronic, and thermal properties of Cr3XN (X = Ga, Pd, Pt, Sn, As, Ge) type materials with anti-perovskite structure3First-principles investigation on anti-perovskites on X3BiN (X=Ca, Ba, Sr): Promising compounds for high performance thermoelectric6Hydrogen storage, optoelectronic, and structural properties of novel osmium hydrides3Theoretical assessment of antiperovskite oxyhalides Rb3OX (X = Br, I) as promising photovoltaic materials13Comprehensive DFT and SCAPS ‐ 1D Study of Structural, Electronic, Optical, Mechanical, Phonon, Thermoelectric, and Photovoltaic Properties of Lead‐Free Z3BrO (Z = K, Rb, Cs, and Fr) Anti‐Perovskites15Exploring structural stability, optoelectronic, photocatalytic hydrogen production and hydrogen storage properties of A3Be2H9 (A= Li and Na) hydrides5Computational investigation of X3BiN (X = Mg, Ca, Sr) anti-perovskites: Highly efficient thermo-electric materials in focus1Structural and optoelectronic properties of Ba3F2ASe3 (A = Zn and Cd) barium fluoro-selenides for energy storage application: In accordance with the Shockley–Queisser limit0Study of Physical Aspects of Double Perovskite Halides K2TlAlX6 (X = Cl/Br/I) for Solar Cells, and Other Green Energy Technologies1Probing the physical properties of the chalcogenide-based double perovskites Ba2NbBiS6 and Ba2TaSbS6: DFT investigation2Phase stability and optoelectronic properties of antiperovskite derivatives A3BiX3 (A = Sr, Ba; X = Cl, Br): theoretical insights into composition and pressure effects6Insights into phonon scattering, anharmonic lattice dynamics, and thermoelectric performance of Li3FPt and Na3FPt antiperovskites1Computational discovery of efficient photovoltaic materials: structural stability and optoelectronic properties of Ba4MAs4 (M = Si4+, Ge4+, Ti4+)0First-principles calculations to investigate structural, elastic, electronic, thermodynamic and optical properties of lead free calcium-strontium nitride based antiperovskites0The Role of Li 3 AgO Antiperovskites in Solar Energy Solutions0Computational study of structural stability and photovoltaic potential of alkali-metal Au-based antiperovskites X3AuO0

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  1. The electrical, dielectric and magnetic effect of strontium-substituted spinel ferrites for high-frequency applications

    Journal of Taibah University for Science · 2021-01-01

    Salma Farhana Aman, Naseeb Ahmad, Hafiz Muhammad Tahir Farid, Khaled Hussein Mahmoud, Zeinhom Mohamed El-Bahy

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  2. RETRACTED ARTICLE: The study of structural, magnetic and dielectric properties of spinel ferrites for microwave absorption applications

    Applied Physics A · 2021-08-27

    Kashif Younas Butt, Salma Farhana Aman, Abeer A. AlObaid, Tahani I. Al‐Muhimeed, Adeela Rehman, Hosameldin Helmy Hegazy, Naseeb Ahmad, Abdul Rauf Khan, Syeda Rabia Ejaz, Hafiz Muhammad Tahir Farid

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  3. Electrical, magnetic and dielectric properties of strontium-substituted spinel ferrites

    The European Physical Journal Plus · 2021-10-01

    Taharh Zelai

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  4. Structural and magnetic properties of samarium-substituted spinel ferrites

    Applied Physics A · 2021-10-23

    Taharh Zelai

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  5. Synthesis and characterization of copper-based spinel ferrites for high frequency applications

    Journal of Magnetism and Magnetic Materials · 2021-11-18

    Salma Farhana Aman, Muhammad Bilal Tahir, Naseeb Ahmad, El‐Sayed M. Sherif, Muhammad Fahad Ehsan, Syeda Rabia Ejaz, Rabia Yasmin Khosa, Asma Sadaf, Hafiz Muhammad Tahir Farid

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  6. Electronic structure, optical, thermoelectric and magnetic properties of A2CdP2 (A = Ca, Sr and Ba) n-type narrow band gap semiconductors

    Materials Science in Semiconductor Processing · 2022-01-13

    Salma Farhana Aman, Hind Mohammed Albalawi, Hafiz Muhammad Tahir Farid, Khaled Hussein Mahmoud, Zeinhom Mohamed El-Bahy

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  7. Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations

    Materials Science in Semiconductor Processing · 2022-07-18

    Smahane Dahbi, N. Tahiri, Omar El Bounagui, Hamid Ez-zahraouy A

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  8. RETRACTED ARTICLE: The structural, dielectric and magnetic study of cobalt based spinel ferrites and polypyrrole composites

    Journal of Materials Science Materials in Electronics · 2022-08-01

    Salma Farhana Aman, Soumaya Gouadria, Naseeb Ahmad, Sajjad Ahmad Khan, Sumaira Manzoor, Hafiz Muhammad Tahir Farid

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  9. Study on active sites of Mn-doped iron selenide on pencil electrode for electrocatalytic water splitting

    Journal of Sol-Gel Science and Technology · 2022-11-22

    Huda A. Alburaih, Mohd Zahid Ansari, Abdul Ghafoor Abid, Rabia Yasmin Khosa, Muhammad Naeem Ashiq, Sumaira Manzoor, Salma Farhana Aman, Hira Chaudhry, Muhammad Suleman Waheed, T.A. Taha

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  10. Insights into the physical properties of newly synthesized AMn2P2 (A= Ca, Sr) via density functional theory

    Physica B Condensed Matter · 2023-01-11

    Md. Zahid Hasan, Md. Abu Rayhan Khan, Md. Atikur Rahman, Aslam Hossain, M. M. Hossain, Wakil Hasan, Md. Zillur Rahman, Ashfaqul Haq, Sayed Sahriar Hasan, Adeeb Mahamud Hossain, K. Rashel Mohammad, Raihan Chowdhury, Md. Rasheduzzaman

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  11. Anti-perovskite nitrides and oxides: Properties and preparation

    Computational Materials Science · 2023-04-20

    Xiang Li, Yaofang Zhang, Weimin Kang, Zirui Yan, Yan Fang Shen, Jiale Huo

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  12. RETRACTED: Study of CoCe0.05Fe1.95O4-polypyrrole composite for efficient electromagnetic interference shielding

    Current Applied Physics · 2023-05-04

    Imtiaz Ahmad, Muhammad Zeshan, Meznah M. Alanazi, Shaimaa A. M. Abdelmohsen, Hafiz Muhammad Tahir Farid

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  13. The structural and dielectric properties of lanthanum substituted strontium based spinel ferrites nano-materials for high frequency device applications

    Journal of Taibah University for Science · 2023-07-20

    A. Alhadhrami, Muhammad Zeshan, Hafiz Muhammad Tahir Farid

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  14. RETRACTED: Synthesis of composites and their characterization for high-frequency applications

    Inorganic Chemistry Communications · 2023-08-07

    Salma Farhana Aman, Halemah Ibrahim Elsaeedy, Fatemah Farraj Alharbi, Syeda Rabia Ejaz, Naseeb Ahmad, Muhammad Zeshan, Mahmood Ali, HafizMuhammad Tahir Farid

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  15. Enhancement in the optoelectronic and thermoelectric properties of the NaASb (A= Ca, Sr and Ba) Sodium Antimonides via switching from P4/nmm to P62 m symmetry

    Journal of Science Advanced Materials and Devices · 2023-12-07

    Hessa Al Salmah, Shahid Mehmood

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  16. Synthesis and characterization of BaGd0.075Fe1.925O4/polypyrrole composites for EMI shielding

    Journal of Materials Science Materials in Electronics · 2023-12-27

    Salma Farhana Aman, Naseeb Ahmad, Muhammad Bilal Tahir

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  17. Unveiling the mechanical, structural, thermoelectric, and optoelectronic potential of K2NaGaBr6 and K2RbTlBr6 double perovskites for sustainable technologies

    Solar Energy · 2024-04-05

    Hudabia Murtaza, Quratul Ain, Junaid Munir, Hamid Ullah, Hamid M. Ghaithan, Abdullah Ahmed Ali Ahmed, Saif M. H. Qaid

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  18. Anti-perovskites for photovoltaics: materials development and challenges

    Journal of Physics D Applied Physics · 2024-05-20

    Dhiman Kalita, Puspanjali Sahu, Unnikrishnan Manju

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  19. Unveiling the DFT perspectives on structural, elastic, electronic, optical and thermal properties of XMn2As2 (X = Ca, Sr)

    Computational Condensed Matter · 2024-09-06

    Md Zillur Rahman, Mist Shamima Akter, Sayed Sahriar Hasan, Md. Akib Hasan, Md Ariful Islam

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  20. Theoretical insights into inorganic antiperovskite nitrides ( X 3 N A : X = Mg, Ca, Sr, Ba; A = As, Sb): An emerging class of materials for photovoltaics

    Physical Review Materials · 2024-10-28

    Sanchi Monga, Manjari Jain, Claudia Draxl, Saswata Bhattacharya

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  21. Exploring the Elastic, Magnetic, Thermodynamic and Electronic Properties of XNNi3 (X: Cd, In) Cubic Anti-Perovskites

    East European Journal of Physics · 2024-12-08

    Jounayd Bentounes, Amal Abbad, Wissam Benstaali, Kheira Bahnes, Noureddine Saidi

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  22. First-principles design and photovoltaic evaluation of alkali-based M 3 ClO anti-perovskites for high-efficiency lead-free solar cells

    New Journal of Chemistry · 2025-01-01

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  23. Is Mg 3 AsN antiperovskite a promising Mg-ion conductor?

    Materials Horizons · 2025-01-01

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  24. Exploring a new perovskite chalcogenide compound LaScSe3: A promising material for optoelectronic and thermoelectric applications

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  25. Modulating the electronic and optical properties of InGeF3 perovskite under pressure: a computational approach

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  26. First-principles calculations of the mechanical, electronic, and thermal properties of Cr3XN (X = Ga, Pd, Pt, Sn, As, Ge) type materials with anti-perovskite structure

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  27. First-principles investigation on anti-perovskites on X3BiN (X=Ca, Ba, Sr): Promising compounds for high performance thermoelectric

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  28. Hydrogen storage, optoelectronic, and structural properties of novel osmium hydrides

    Journal of Molecular Modeling · 2025-05-01

    Shahid Mehmood, Zahid Ali, Shah Rukh Khan, Ashfaq Ahmad, Nasar Khan, Mohamed Mousa

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  29. Theoretical assessment of antiperovskite oxyhalides Rb3OX (X = Br, I) as promising photovoltaic materials

    Materials Today Chemistry · 2025-06-27

    Diwen Liu, Kaixin Cao, Xiaowei Dai, Rongjian Sa

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  30. Comprehensive DFT and SCAPS ‐ 1D Study of Structural, Electronic, Optical, Mechanical, Phonon, Thermoelectric, and Photovoltaic Properties of Lead‐Free Z3BrO (Z = K, Rb, Cs, and Fr) Anti‐Perovskites

    Journal of Computational Chemistry · 2025-09-10

    Rifat Rafiu, Md. Sakib Hasan Saikot, Imtiaz Ahamed Apon, Imed Boukhris, Ali El‐Rayyes, Mohd Taukeer Khan, Q. Mohsen, Md. Azizur Rahman

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  31. Exploring structural stability, optoelectronic, photocatalytic hydrogen production and hydrogen storage properties of A3Be2H9 (A= Li and Na) hydrides

    International Journal of Hydrogen Energy · 2025-09-18

    Shahid Mehmood, Shah Rukh Khan, Muneerah Amer Alomar, A. Laref, Mohamed Mousa

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  32. Computational investigation of X3BiN (X = Mg, Ca, Sr) anti-perovskites: Highly efficient thermo-electric materials in focus

    Computational Condensed Matter · 2025-09-25

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  33. Structural and optoelectronic properties of Ba3F2ASe3 (A = Zn and Cd) barium fluoro-selenides for energy storage application: In accordance with the Shockley–Queisser limit

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  34. Study of Physical Aspects of Double Perovskite Halides K2TlAlX6 (X = Cl/Br/I) for Solar Cells, and Other Green Energy Technologies

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  35. Probing the physical properties of the chalcogenide-based double perovskites Ba2NbBiS6 and Ba2TaSbS6: DFT investigation

    Indian Journal of Physics · 2025-12-03

    Zakarya Bouguerra, Inas Bouzateur, Hamza Bennacer, A. Boukortt, M. A. Ouali, Moufdi Hadjab, Mohamed Issam Ziane

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  36. Phase stability and optoelectronic properties of antiperovskite derivatives A3BiX3 (A = Sr, Ba; X = Cl, Br): theoretical insights into composition and pressure effects

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  37. Insights into phonon scattering, anharmonic lattice dynamics, and thermoelectric performance of Li3FPt and Na3FPt antiperovskites

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  38. Computational discovery of efficient photovoltaic materials: structural stability and optoelectronic properties of Ba4MAs4 (M = Si4+, Ge4+, Ti4+)

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  39. First-principles calculations to investigate structural, elastic, electronic, thermodynamic and optical properties of lead free calcium-strontium nitride based antiperovskites

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  40. The Role of Li 3 AgO Antiperovskites in Solar Energy Solutions

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  41. Computational study of structural stability and photovoltaic potential of alkali-metal Au-based antiperovskites X3AuO

    Materials Today Chemistry · 2026-08-27

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