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RESEARCH PAPER · Physica B Condensed Matter · 2024

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

İlknur Kars Durukan, Yasemin Oztekin Ciftci, Hatice Tekin

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A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compoundsOriginalA spin-polarized analysis of the half-metallicity, mechanical, structural and optoelectronic attributes of full-Heusler XVCo 2 (X = B and P) alloys16An examination of the structural, mechanical, dynamic stabilities, and optoelectronic properties of half-Heusler LiInSi for photovoltaic applications11DFT study on the structural, mechanical, electronic, optical and thermodynamic properties of recently synthesized MAX Phase compounds A3InC2 (A= Zr, Hf) under ambient and elevated pressure31Exploring the structural, electronic, elastic, optical and thermoelectric properties of silver-based half-Heusler semiconductors AgYTe (Y = Li, Na, and K)13Investigation of the structural, mechanical, anisotropic, thermal conductivity, electronic, and phonon properties of RhTiZ(Z: As, sb) half heusler compounds under high pressure: A DFT study0Optoelectronic and Thermoelectric Properties of Zirconium Half-Heusler Alloys RhZrX (X = P, As, Sb, Bi): an ab-initio Investigation12Theoretical investigation of magnetic and magnetocaloric properties of the half-Heusler alloy MnCoBi for magnetic refrigeration applications38Critical behavior of Ni2MnGa ferromagnetic Heusler alloys21Structural, electronic, mechanical, optical and magnetic properties of RhNbZ (Z = Li, Si, As) Half-Heusler compounds: a first-principles study7Highly efficient XCoSi (X=V, Nb, Ta) compounds for thermoelectricity: a density functional theory approach4Phase Transitions and Magnetic Behavior in Ferromagnetic X2YZ Heusler Alloys7Structural, Magnetic, Electronic, and Optical Properties of New Half-Metallic Half-Heusler Alloys MVSn (M = Pd and Pt): First-Principles DFT Study3Computational investigation of CaZnGe and CaZnSn half-heusler compounds: Potential candidates for thermoelectric devices28First principles investigation of structural, electrical, mechanical, optical and thermoelectric properties of half-Heusler semiconductor KBaAs4Optical Behavior of Indirect Bandgap Half‐Heuslers Compounds CuTiGa and ZnScGa: A First‐Principles Study0Revealing the potential of double perovskite hydrides A2SiH6 (A = Li and Na) for solid-state hydrogen storage applications31Unveiling the potential of cobalt-based half-Heusler alloys for multifunctional advanced technological applications: insights from DFT1Unveiling the structural, vibrational, elastic, optoelectronic and thermoelectric characteristics of alkali-yttrium based half-Heusler alloys XYC (X = K, Rb, Cs)0Tunable magnetism and strong UV absorption in CrTiX (X = Ga, In) half-Heusler compounds: Insights from first-principles calculations0First principles study of pressure application on thermoelectric response of YAgSn: insights from the YAgX (X = Si, Ge, Sn) alloy series0Multi-valley-driven thermoelectric transport in half-Heusler TiCoX ( X = P, As, Sb)2Exploring the Thermoelectric, Phonon, and Spin‐Optical Performance of RhVBi Half‐Heusler Compound: A First‐Principles Approach via DFT1The 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 Study0Unveiling the structural stability and functional properties of CrTiZ (Z = Ge, Sb) half-Heusler alloys through first-principles calculations0

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  1. A spin-polarized analysis of the half-metallicity, mechanical, structural and optoelectronic attributes of full-Heusler XVCo 2 (X = B and P) alloys

    RSC Advances · 2024-01-01

    Faiza Firdous, Quratul Ain, Shams A.M. Issa, Hesham M.H. Zakaly, Junaid Munir

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  2. An examination of the structural, mechanical, dynamic stabilities, and optoelectronic properties of half-Heusler LiInSi for photovoltaic applications

    Chemical Physics Letters · 2024-05-17

    Y. Toual, S. Mouchou, Abdelouahid Azouaoui, A. Rezzouk, Khalid Bouslykhane, Ahmed Hourmatallah, Najib Benzakour

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  3. DFT study on the structural, mechanical, electronic, optical and thermodynamic properties of recently synthesized MAX Phase compounds A3InC2 (A= Zr, Hf) under ambient and elevated pressure

    Materials Today Communications · 2024-07-29

    Rukaia Khatun, Md. Atikur Rahman, Dayal Chandra Roy, Anjuman Ara Khatun, Mukter Hossain, Upasana Rani, Peeyush Kumar Kamlesh, Ahmad Irfan, Sarah Chaba Mouna

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  4. Exploring the structural, electronic, elastic, optical and thermoelectric properties of silver-based half-Heusler semiconductors AgYTe (Y = Li, Na, and K)

    Materials Science in Semiconductor Processing · 2024-08-07

    Bendehiba Sid Ahmed, Besbes Anissa, Djelti Radouan

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  5. Investigation of the structural, mechanical, anisotropic, thermal conductivity, electronic, and phonon properties of RhTiZ(Z: As, sb) half heusler compounds under high pressure: A DFT study

    Physica B Condensed Matter · 2024-08-15

    İlknur Kars Durukan, Yasemin Oztekin Ciftci

    Read original paper ↗ ·

  6. Optoelectronic and Thermoelectric Properties of Zirconium Half-Heusler Alloys RhZrX (X = P, As, Sb, Bi): an ab-initio Investigation

    Journal of Inorganic and Organometallic Polymers and Materials · 2024-09-22

    Mumtaz Manzoor, Arti Saxena, Pramod K. Singh, Faizan Ahmad, Ramesh Sharma, Hamid Ullah, Dalia Fouad, Vipul Srivastava

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  7. Theoretical investigation of magnetic and magnetocaloric properties of the half-Heusler alloy MnCoBi for magnetic refrigeration applications

    Physics Letters A · 2024-10-30

    El Mostafa Jalal, Hamza Kerrai, H. Saadi, N. Hachem, A. Hasnaoui, M. El Bouziani

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  8. Critical behavior of Ni2MnGa ferromagnetic Heusler alloys

    Applied Physics A · 2024-11-23

    H. Saadi, Hamza Kerrai, El Mostafa Jalal, A. Elhani, A. Alrajhi, M. El Bouziani

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  9. Structural, electronic, mechanical, optical and magnetic properties of RhNbZ (Z = Li, Si, As) Half-Heusler compounds: a first-principles study

    Materials Research Express · 2025-01-01

    Adem Beriso Bejo, Megersa Wodajo Shura, Kumneger Tadele, Mesfin Asfaw Afrassa, Fekadu Tolessa Maremi

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  10. Highly efficient XCoSi (X=V, Nb, Ta) compounds for thermoelectricity: a density functional theory approach

    Journal of Computational Electronics · 2025-01-03

    O. R. Jolayemi, Gunwant M. Mule, Oghenekevwe Timothy Uto, Olukunle Charles Olawole

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  11. Phase Transitions and Magnetic Behavior in Ferromagnetic X2YZ Heusler Alloys

    physica status solidi (b) · 2025-02-21

    El Mostafa Jalal, Hamza Kerrai, Hasnae Saadi, A. Hasnaoui, A. Zaim, M. Kerouad, M. El Bouziani

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  12. Structural, Magnetic, Electronic, and Optical Properties of New Half-Metallic Half-Heusler Alloys MVSn (M = Pd and Pt): First-Principles DFT Study

    Russian Journal of Physical Chemistry A · 2025-05-01

    M. Musa Saad H.‐E., B. O. Alsobhi

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  13. Computational investigation of CaZnGe and CaZnSn half-heusler compounds: Potential candidates for thermoelectric devices

    Next Materials · 2025-05-16

    Saumya Srivastava, Upasana Rani, Monika Rani, Y. Toual, Anusha Dubey, Naincy Pandit, Ajay Singh Verma, Sapna Nehra, Peeyush Kumar Kamlesh

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  14. First principles investigation of structural, electrical, mechanical, optical and thermoelectric properties of half-Heusler semiconductor KBaAs

    Materials Science and Engineering B · 2025-06-03

    Tasso Yattung, Pratap Kumar Swain, SUSANTA KUMAR MOHANTA

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  15. Optical Behavior of Indirect Bandgap Half‐Heuslers Compounds CuTiGa and ZnScGa: A First‐Principles Study

    physica status solidi (b) · 2025-07-10

    M Sarojini, Uma Mahendra Kumar Koppolu

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

    Journal of Energy Storage · 2025-08-06

    Abdullah Candan, Aytaç Erkişi, Buğra Yıldız

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  17. Unveiling the potential of cobalt-based half-Heusler alloys for multifunctional advanced technological applications: insights from DFT

    Physical Chemistry Chemical Physics · 2026-01-01

    Sumit Kumar, Diwaker, Arvind Sharma, Karan Singh Vinayak, Shyam L. Gupta

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  18. Unveiling the structural, vibrational, elastic, optoelectronic and thermoelectric characteristics of alkali-yttrium based half-Heusler alloys XYC (X = K, Rb, Cs)

    Indian Journal of Physics · 2026-02-03

    Bilel Achir, Fatima Bendahma, N. Mehtougui, M. Mana, Samir BENTATA, N. Benderdouche, A. Righi, T. Lantri

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

    Modern Physics Letters B · 2026-02-11

    Sajjad Shafi, Salma Alshehri, Wafa S. Aljuaid, Saleha Qissi, Nasir Rahman, Vineet Tirth, Ali Algahtani, Ahmed Azzouz‐Rached, Hamza Rekab-Djabri

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  20. First principles study of pressure application on thermoelectric response of YAgSn: insights from the YAgX (X = Si, Ge, Sn) alloy series

    The European Physical Journal Plus · 2026-03-06

    Rekha Rani, M. M. Sinha

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  21. Multi-valley-driven thermoelectric transport in half-Heusler TiCoX ( X = P, As, Sb)

    Physica Scripta · 2026-05-27

    Ke Shi, RenQi Zhang, J. L. Zhang, Xicheng Liu, Jiaxin Song, Kaiguang Liu, Huanli Wang

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  22. Exploring the Thermoelectric, Phonon, and Spin‐Optical Performance of RhVBi Half‐Heusler Compound: A First‐Principles Approach via DFT

    ChemistrySelect · 2026-07-01

    Hamadi Zineb, Bendahma Fatima, Fatiha Bessaha, M Said Mohamed, Surendra Singh Sengar, Dinesh C. Gupta

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  23. The 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 Study

    Crystals · 2026-07-28

    Sara Lazghed, F. Annane, Akila Boumaza, Hocine Meradji, Sebti Ghemid

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  24. Unveiling the structural stability and functional properties of CrTiZ (Z = Ge, Sb) half-Heusler alloys through first-principles calculations

    Indian Journal of Physics · 2026-10-08

    Muhammad Tanveer Khan, Amir Ullah, Vineet Tirth, Ali Algahtani, Eman M. Alshehri, Hind Albalawi, Mohammad Sohail, Nasir Rahman

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