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RESEARCH PAPER · Journal of Solid State Chemistry · 2020

First-principle investigation of ferromagnetism and thermoelectric characteristics of MgCr2X4 (X = S, Se) spinels

Qasim Mahmood, Naveed Ahmad Noor, M. Jadan, Jihad S. Addasi, Asif Mahmood, Shahid Mahmood Ramay

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First-principle investigation of ferromagnetism and thermoelectric characteristics of MgCr2X4 (X = S, Se) spinelsOriginalFirst-principle computations of ferromagnetic HgCr2Z4 (Z = S, Se) spinels for spintronic and energy storage system applications30Theoretical analysis of ferromagnetism and electronic transport aspects of CaM2S4 (M = Ti, Cr) spinels for the application of spintronic and energy storage system1Structural, elastic, thermodynamic, electronic, optical and thermoelectric properties of MgLu2X4 (X= S, Se) spinel compounds from ab-initio calculations80First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe 2 (S/Se) 4 for spintronic21Comprehensive DFT investigation of Cd-based spinel chalcogenides for spintronic and solar cells devices18First principle study of magnesium-based chalcogenides MgLa2(S/Se)4 for solar cells and renewable energy applications22Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications24Role of trivalent substitution at octahedral side on ferromagnetism and transport properties of ZnX2S4 (X = Ti, V, Cr) spinels8Study of half metallic ferromagnetism and thermoelectric properties of spinel chalcogenides BaCr2X4 (X = S, Se, Te) for spintronic and energy harvesting54Room temperature ferromagnetism and thermoelectric behavior of calcium based spinel chalcogenides CaZ2S4 (Z = Ti, V, Cr, Fe) for spintronic applications49Physical characteristics of ferromagnetic Cr-based LiCr2X4 (X = S, Se) spinels for spintronic and solar energy devices applications7Theoretical Investigation of Ferromagnetism and Optical Properties of CuCr2X4 (X = S, Se) Spinels via Ab-initio Calculations1Ab-initio study of half-metallic ferromagnetism and transport characteristics of MgV 2 S/Se 4 spinels for spintronics and thermoelectric applications5A DFT investigation of Al2XS4 (X=Hg, Mg) for energy harvesting applications20Magnetic, optical, electronic, structural and thermoelectric features of A2MgS4 (A=Sm, Tb): A DFT study31Investigation of X2CdS4 (X=Dy, Tm) spinels for energy harvesting and spintronic applications17Tunable magnetic interactions in mono-transition metal spinels MgCr2X4 (X=O,S,Se) and ACr2S4 (A=Ca,Sr,Ba)2Theoretical 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 applications15Study of role of spin in ferromagnetism and thermoelectric characteristics of spinel chalcognides MgEr2(S/Se)4 for spintronic and clean energy12Study 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 harvesting25First-principles calculations to investigate electrochemical performance of the LiYO3 cathode for Li-ion battery11Impact of terbium (Tb) on ferromagnetism and thermoelectric behaviour of spinels MgTb2(S/Se)4 for spintronic9Dft Study of Ta-Based Half-Heusler Alloys Cstax (X=C, Si, and Ge) for Spintronics and Thermoelectric Technologies0Dft Study of Ta-Based Half-Heusler Alloys Cstax (X=C, Si, and Ge) for Spintronics and Thermoelectric Technologies1Study of the spin-polarized electronic, exchange constant, and thermoelectric characteristics of spinels LiFe2(O/S)4 for spintronic and energy-harvesting applications5Exploring the optoelectronic and transport properties of novel ternary spinel semiconductors via first-principles calculation2Structural, electronic, optical, thermoelectric, and thermodynamic properties of XIn 2 M 4 (X = Cd, Zn; M = S, Se, Te) spinels for solar cell and thermoelectric devices: first-principles study17A first principles based exploration of Rb2XHgCl6 (X= Al, Y) halide double perovskites for their applications in futuristic efficient technologies7Study of Curie Temperature, Ferromagnetism, and thermoelectric properties BaCo2Z4 (Z = S, Se, Te) for spintronic and energy applications7DFT study of structural, electronic, magnetic, elastic, and thermoelectric properties of Ta-based half-Heusler alloys CsTaX (X = C, Si, and Ge) for spintronics and thermoelectric technologies18Study of Curie temperature, ferromagnetism and thermoelectric properties of spinels CdCr2X4 (X=S, Se, Te) for spintronic and energy harvesting8Density functional quantum screening of the structural, electronic, phonon, and thermophysical properties of Cu-based chalcogenides for interface thermal performance and energy applications4DFT Analysis of Transition Metal ( TM ) Substitutions on Cu‐Based Chalcogenides: Structural, Electronic, and Thermophysical Properties for Interface Thermal Performance and Energy3Study of lanthanide based Ln2MgSe4 (Ln = Er, Pm) spinels for spintronic and optoelectronic applications6Study 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 applications3Mechanically robust and thermodynamically stable FeSc 2 Z 4 (Z = S, Se) spinels for future spintronic architectures7Above room temperature T C , 100% spin-polarization, and a high thermoelectric response in the ordered CaCu 3 Mn 2 Ir 2 O129Ferrimagnetic semiconducting state and high thermoelectric behavior in newly synthesized ordered LaCu3Fe2RuSbO12: first-principles insight3Theoretical Investigation of Semiconducting CdTi2X4 (X = S, Se) Ferromagnetic Spinels as Multifunctional energy materials: A DFT study3Pressure 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-calculations0Strain‐Dependent Electronic, Optical, and Thermoelectric Properties of ZnX 2 Z 4 (X = Sc, Y; Z = S, Se) Spinel Compounds from First‐Principles Calculations0Investigate Pressure Dependent Electronic, Optical, and Thermoelectric Properties of MgLu 2 X 4 (X = S, Se) Through FP ‐ APW +lo0Investigation of the electronic, optical and thermoelectric properties of MgA2B4 (A = Sc, Y; B = S, Se) compounds by using density functional theory under strain effect0Investigation of half metallic ferromagnetism, and thermoelectric aspect of rare earth chalcogenides BaCe2X4 (X = S, Se, Te) for spintronic applications0

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  1. First-principle computations of ferromagnetic HgCr2Z4 (Z = S, Se) spinels for spintronic and energy storage system applications

    Journal of Materials Research and Technology · 2020-11-01

    Asif Mahmood, Shahid Mahmood Ramay, Waheed A Al‐Masry, Charles W. Dunnill, Najib Y.A. Al-Garadi

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  2. Theoretical analysis of ferromagnetism and electronic transport aspects of CaM2S4 (M = Ti, Cr) spinels for the application of spintronic and energy storage system

    Modern Physics Letters B · 2020-12-17

    Asif Mahmood, Waheed A Al‐Masry, Maham Anwar, M. Mufakkar Adaam, Ghalib ul Islam, Shahid Mahmood Ramay, Ateyah A. Al-Zahrani, Najib Y.A. Al-Garadi

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  3. Structural, elastic, thermodynamic, electronic, optical and thermoelectric properties of MgLu2X4 (X= S, Se) spinel compounds from ab-initio calculations

    Materials Science in Semiconductor Processing · 2021-02-24

    Samah Al‐Qaisi, P. Raics, Thamraa M. Alshahrani, R. Ahmed, Bakhtiar Ul Haq, Sohail Afzal Tahir, Mohamed Khuili, Qasim Mahmood

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  4. First principle study of half metallic ferromagnetism and transport properties of spinel’s ZnFe 2 (S/Se) 4 for spintronic

    Physica Scripta · 2021-09-07

    Abeer A. AlObaid, Tahani I. Al‐Muhimeed, Abdur Rahim, Ghazanfar Nazir, S. Bouzgarrou, Abeer Mera, Abdulaziz I. Aljameel, Hosameldin Helmy Hegazy, Ghulam Murtaza, Qasim Mahmood

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  5. Comprehensive DFT investigation of Cd-based spinel chalcogenides for spintronic and solar cells devices

    Journal of Materials Research and Technology · 2021-10-28

    Muhammad Sohaib, Kamran Abid, Naveed Ahmad Noor, Muhammad Aslam Khan, Riadh Neffati, Shams H. Abdel‐Hafez, Enas E. Hussein

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  6. First principle study of magnesium-based chalcogenides MgLa2(S/Se)4 for solar cells and renewable energy applications

    Applied Physics A · 2021-12-14

    Ghulam Mustafa, Taharh Zelai, S. Bouzgarrou, M.H. Alhossainy, Qasim Mahmood, Abeer Mera, Hosameldin Helmy Hegazy, Sarah Alharthi, Mohammed A. Amin

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  7. Half Metallic Ferromagnetism and Transport Properties of Zinc Chalcogenides ZnX2Se4 (X = Ti, V, Cr) for Spintronic Applications

    Materials · 2021-12-22

    Mohsen Al-Qhtani, Ghulam Mustafa, Nasheeta Mazhar, S. Bouzgarrou, Qasim Mahmood, Abeer Mera, Z.I. Zaki, Nasser Y. Mostafa, Saad Hmoud Alotaibi, Mohammed A. Amin

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  8. Role of trivalent substitution at octahedral side on ferromagnetism and transport properties of ZnX2S4 (X = Ti, V, Cr) spinels

    The European Physical Journal Plus · 2022-03-01

    Tahani I. Al‐Muhimeed, Ghulam Mustafa, Abeer A. AlObaid, Abeer Mera, Komal Shahzadi, Murefah mana Al‐Anazy, Qasim Mahmood

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  9. Study of half metallic ferromagnetism and thermoelectric properties of spinel chalcogenides BaCr2X4 (X = S, Se, Te) for spintronic and energy harvesting

    Journal of Materials Research and Technology · 2022-04-04

    Gaber A. M. Mersal, Huda Alkhaldi, Ghulam Mustafa, Qasim Mahmood, Abeer Mera, S. Bouzgarrou, Ali Badawi, Abdallah A. Shaltout, Johan Boman, Mohammed A. Amin

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

    Journal of Physics and Chemistry of Solids · 2022-04-18

    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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  11. Physical characteristics of ferromagnetic Cr-based LiCr2X4 (X = S, Se) spinels for spintronic and solar energy devices applications

    The European Physical Journal Plus · 2022-05-17

    Muhammad Sohaib, Naveed Ahmad Noor, Mumtaz Manzoor, A. Laref, Alaa Dahshan

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  12. Theoretical Investigation of Ferromagnetism and Optical Properties of CuCr2X4 (X = S, Se) Spinels via Ab-initio Calculations

    Journal of Materials and Physical Sciences · 2022-06-30

    Qasim Mahmood, Jameelah A. Alzahrani, Taher Ghrib

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  13. Ab-initio study of half-metallic ferromagnetism and transport characteristics of MgV 2 S/Se 4 spinels for spintronics and thermoelectric applications

    Physica Scripta · 2022-07-19

    Rashid Ramzan, Naveed Ahmad Noor, Muhammad Waqas Iqbal, Mazia Asghar, Muhammad Aslam Khan, Alaa Dahshan, Aminah Alqahtani

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  14. A DFT investigation of Al2XS4 (X=Hg, Mg) for energy harvesting applications

    Journal of Physics and Chemistry of Solids · 2022-09-01

    Mehwish Naseem, Asima Aziz, Shatha A. Aldaghfag, Misbah Misbah, Muhammad Shahzad Yaseen, Riadh Neffati

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  15. Magnetic, optical, electronic, structural and thermoelectric features of A2MgS4 (A=Sm, Tb): A DFT study

    Journal of Physics and Chemistry of Solids · 2023-01-02

    Amina Gilani, Nasarullah, Shatha A. Aldaghfag, Muhammad Shahzad Yaseen

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  16. Investigation of X2CdS4 (X=Dy, Tm) spinels for energy harvesting and spintronic applications

    Journal of Solid State Chemistry · 2023-01-18

    Ifrah Tariq, Muhammad Shahzad Yaseen, Shatha A. Aldaghfag, Asima Aziz

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  17. Tunable magnetic interactions in mono-transition metal spinels MgCr2X4 (X=O,S,Se) and ACr2S4 (A=Ca,Sr,Ba)

    Physical Review Materials · 2023-02-23

    Ran Zhao, Chengyang Xu, Weidong Luo

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

    Materials Science in Semiconductor Processing · 2023-04-28

    Naveed Ahmad Noor, Maryam Tahir, Muhammad Aslam Khan, Shanawer Niaz, Hamid Ullah, Riadh Neffati, Ramesh Sharma

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

    Journal of Alloys and Compounds · 2023-05-01

    Qasim Mahmood

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  20. Study of role of spin in ferromagnetism and thermoelectric characteristics of spinel chalcognides MgEr2(S/Se)4 for spintronic and clean energy

    Journal of Solid State Chemistry · 2023-05-22

    Hind Mohammed Albalawi, Amel Azazi, Qasim Mahmood, Nessrin Awadhallah Kattan, Samah Al‐Qaisi, G. Murtaza, Filiz Ercan, S. Bouzgarrou, M. Jadan

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

    Journal of Physics and Chemistry of Solids · 2023-07-28

    Qasim Mahmood, Shaista Tahir, Hind Mohammed Albalawi, Taharh Zelai, Othman Hakami, Samah Al‐Qaisi, Md. Ferdous Rahman, Abdulaziz I. Aljameel, G. Murtaza, Mohamed Adam

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  22. 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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  23. First-principles calculations to investigate electrochemical performance of the LiYO3 cathode for Li-ion battery

    Ionics · 2023-09-11

    A. Erraji, Rachid Masrour

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  24. Impact of terbium (Tb) on ferromagnetism and thermoelectric behaviour of spinels MgTb2(S/Se)4 for spintronic

    Materials Science and Engineering B · 2023-12-23

    M. Hassan, Syed Awais Rouf, Ayman S. Alofi, Qasim Mahmood, Aiza Ishfaq, Murefah mana Al‐Anazy, Ali S. Alshomrany, Md. Ferdous Rahman, El SayedYousef

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  25. Dft Study of Ta-Based Half-Heusler Alloys Cstax (X=C, Si, and Ge) for Spintronics and Thermoelectric Technologies

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  26. Dft Study of Ta-Based Half-Heusler Alloys Cstax (X=C, Si, and Ge) for Spintronics and Thermoelectric Technologies

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

    Journal of Physics and Chemistry of Solids · 2024-02-27

    Sadia Nazir, Naveed Ahmad Noor, Ramesh Sharma, M. Imran Rasheed, M. Ammar Yasir, Muhammad Aslam, Yousef Mohammed Alanazi

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  28. Exploring the optoelectronic and transport properties of novel ternary spinel semiconductors via first-principles calculation

    Chemical Physics Letters · 2024-07-15

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  29. Structural, electronic, optical, thermoelectric, and thermodynamic properties of XIn 2 M 4 (X = Cd, Zn; M = S, Se, Te) spinels for solar cell and thermoelectric devices: first-principles study

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  30. A first principles based exploration of Rb2XHgCl6 (X= Al, Y) halide double perovskites for their applications in futuristic efficient technologies

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

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  32. DFT study of structural, electronic, magnetic, elastic, and thermoelectric properties of Ta-based half-Heusler alloys CsTaX (X = C, Si, and Ge) for spintronics and thermoelectric technologies

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

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  34. Density functional quantum screening of the structural, electronic, phonon, and thermophysical properties of Cu-based chalcogenides for interface thermal performance and energy applications

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  35. DFT Analysis of Transition Metal ( TM ) Substitutions on Cu‐Based Chalcogenides: Structural, Electronic, and Thermophysical Properties for Interface Thermal Performance and Energy

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  36. Study of lanthanide based Ln2MgSe4 (Ln = Er, Pm) spinels for spintronic and optoelectronic applications

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  37. 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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  39. Mechanically robust and thermodynamically stable FeSc 2 Z 4 (Z = S, Se) spinels for future spintronic architectures

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  40. Above room temperature T C , 100% spin-polarization, and a high thermoelectric response in the ordered CaCu 3 Mn 2 Ir 2 O12

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  41. Ferrimagnetic semiconducting state and high thermoelectric behavior in newly synthesized ordered LaCu3Fe2RuSbO12: first-principles insight

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

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  43. Pressure dependent characteristics of spinels AIn 2 S 4 (A = Fe, Ni) for spintronic applications: mechanical stable, thermodynamic and spin-polarized electronic behavior

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  44. Pressure-induced mechanically, thermodynamically and structurally stable half-metallic ferromagnetic NiSc 2 X 4 (X = S and Se) spinels for spintronic applications: DFT-calculations

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  45. Strain‐Dependent Electronic, Optical, and Thermoelectric Properties of ZnX 2 Z 4 (X = Sc, Y; Z = S, Se) Spinel Compounds from First‐Principles Calculations

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  46. Investigate Pressure Dependent Electronic, Optical, and Thermoelectric Properties of MgLu 2 X 4 (X = S, Se) Through FP ‐ APW +lo

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  47. Investigation of the electronic, optical and thermoelectric properties of MgA2B4 (A = Sc, Y; B = S, Se) compounds by using density functional theory under strain effect

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    Ubaid Ur Rahman, Ahmed B. M. Ibrahim, M. Habib M. Habib, Khalid I. Anojaidi, Waleed A. Al-Suwaylih, Mohamemd A. Al‐Suwaylih, Shamim Khan, G. Murtaza

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  48. Investigation of half metallic ferromagnetism, and thermoelectric aspect of rare earth chalcogenides BaCe2X4 (X = S, Se, Te) for spintronic applications

    Physica B Condensed Matter · 2026-05-28

    Aiman Ayaz, Hanof Dawas Alkhaldi, Ghulam M. Mustafa, A. Almeshal, Fawziah Alhajri, Murefah mana Al‐Anazy, Qasim Mahmood, Ali El‐Rayyes

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