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RESEARCH PAPER · Solid State Communications · 2023

Properties of the double half-heusler alloy ScNbNi2Sn2 with respect to structural, electronic, optical, and thermoelectric aspects

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Properties of the double half-heusler alloy ScNbNi2Sn2 with respect to structural, electronic, optical, and thermoelectric aspectsOriginalMachine learning prediction of thermal and elastic properties of double half-Heusler alloys22Ab Initio Study of the Properties of Ti2PdFe(Ru)Sb2 Double Half-Heusler Semiconducting Alloys55Theoretical investigation of the physical, mechanical, and thermal properties of Zr2XBiNi2 (X: Al, Ga) double half-Heusler alloys20A DFT insight into optoelectronics and transport phenomena in the monoclinic BiGaInS compound for applications in renewable energy5Thermoelectric and Magnetic Properties of Biphasic ZrFe0.5Ni0.5Sb Double Half-Heusler and ZrNiSb Half-Heusler Induced by Co Doping13Properties of the chalcogenide-based double perovskites Ba2NbBiS6 and Ba2TaSbS6 with respect to structural, electronic and optical aspects15Tailoring the physical characteristics of ScTaPd2Sn2 and ScTaPt2Sn2 double half-Heusler compound for thermoelectric applications4Optimizing the thermoelectric behavior of novel quaternary CoIrMnX (X=Sn, Sb) alloys through chemical potential or carrier concentration doping21Comprehensive Study of ZrNiIn0.5Sb0.5 Double Half-Heusler Properties for Thermoelectric and Spintronics Applications: Intrinsic Homogeneity Optimization and Extrinsic Sc Doping Effects5Ab Initio Investigation of the Stability, Electronic, Mechanical, and Transport Properties of New Double Half Heusler Alloys Ti2Pt2ZSb (Z = Al, Ga, In)10Tailoring the physical characteristics of novel quaternary RuMnCrSi and NiMnCrAl compounds for spintronic and thermoelectric applications8Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V2Ni2Z′Z′′ (Z′ = Al, Ga and Z′′ = Sb, Sn) using ab initio computational methods5Comparative theoretical analysis of structural, optical, electronic, and thermoelectric properties of bulk and thin films of CaTiO3 and ZnTiO3 for solar cell applications2Advanced materials for next-generation devices: insights into the structural, optical, and thermoelectric properties of Hf2Pd2AlBi and Hf2Pd2AlSb alloys5Exploring the multifunctional quaternary Heusler alloys for energy conversion: Insights into optical and thermoelectric performance from first-principles1Influence of point defects on thermal conductivity in TiFe x Ni 1 − x Sb alloys0Comprehensive analysis of structural, mechanical, electronic, optical, and thermodynamic properties of an alternative semiconductor: Ti2MnCoS2 double half Heusler2Theoretical insights into the electronic, optical, mechanical and thermoelectric characteristics of double half-Heusler Nb 2 Sn 2 OsZ(Z=Pd,Pt)1First-principles calculations to investigate structural, electronic, mechanical, and optical properties of double half-Heusler alloys YNbPd2Sn2, and YNbPt2Sn22Enhanced thermoelectric performance in Ca1-xEuxZn2Sb2 Zintl phases via compositional tuning0Cobalt‐Induced Strong Anharmonicity Coupled With Hierarchical Defect and Band Structure Engineering for Enhanced n‐ and p‐Type Thermoelectric Performance in ZrFe 0.5 Ni 0.5 Sb Double Half‐Heuslers2Comprehensive analysis of Mnx addition effects on the electronic, magnetic, thermodynamic, and optical properties of Zr2-xTcRhTe2 non-magnetic semiconductor double half-Heusler alloy0Unveiling the optoelectronic and thermoelectric properties of chalcopyrite ZnGe1-xSixP2 semiconductor alloys: A DFT study0Ab initio exploration of promising double half-Heusler Ti 2 Y 2 AlSb (Y=Pd, Pt) alloys: unveiling stability, electronic, mechanical and superior thermoelectric performance0

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  2. Ab Initio Study of the Properties of Ti2PdFe(Ru)Sb2 Double Half-Heusler Semiconducting Alloys

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    Mohamed Diaf, Haroun Righi, H. Rached, Djamel Rached, Raouf Beddiaf

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  3. Theoretical investigation of the physical, mechanical, and thermal properties of Zr2XBiNi2 (X: Al, Ga) double half-Heusler alloys

    Journal of materials research/Pratt's guide to venture capital sources · 2023-09-28

    Oukacha Douinat, Ahmed Boucherdoud, Abdelkarim Seghier, Mohammed Houari, Smain Mesbah, T. Lantri, Benaouda Bestani

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  4. A DFT insight into optoelectronics and transport phenomena in the monoclinic BiGaInS compound for applications in renewable energy

    Materials Science in Semiconductor Processing · 2023-12-14

    Torkia Ghellab, Zoulikha Charifi, Hakim Baaziz

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  5. Thermoelectric and Magnetic Properties of Biphasic ZrFe0.5Ni0.5Sb Double Half-Heusler and ZrNiSb Half-Heusler Induced by Co Doping

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    Joseph Ngugi Kahiu, Samuel Kimani Kihoi, Hyunji Kim, Ho Seong Lee

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  6. Properties of the chalcogenide-based double perovskites Ba2NbBiS6 and Ba2TaSbS6 with respect to structural, electronic and optical aspects

    International Journal of Modern Physics B · 2024-05-14

    Hakim Baaziz, Torkia Ghellab, Zoulikha Charifi

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  7. Tailoring the physical characteristics of ScTaPd2Sn2 and ScTaPt2Sn2 double half-Heusler compound for thermoelectric applications

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  8. Optimizing the thermoelectric behavior of novel quaternary CoIrMnX (X=Sn, Sb) alloys through chemical potential or carrier concentration doping

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  9. Comprehensive Study of ZrNiIn0.5Sb0.5 Double Half-Heusler Properties for Thermoelectric and Spintronics Applications: Intrinsic Homogeneity Optimization and Extrinsic Sc Doping Effects

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    Joseph Ngugi Kahiu, Samuel Kimani Kihoi, Hyunji Kim, Innocent Thato Marekwa, Donghyun Shin, Ho Seong Lee

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  10. Ab Initio Investigation of the Stability, Electronic, Mechanical, and Transport Properties of New Double Half Heusler Alloys Ti2Pt2ZSb (Z = Al, Ga, In)

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    Nurgul S. Soltanbek, N. A. Merali, Nursultan E. Sagatov, Fatima U. Abuova, Edgars Elsts, Aisulu U. Abuova, Vladimir V. Khovaylo, Talgat M. Inerbaev, Marina Koņuhova, Anatoli I. Popov

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  11. Tailoring the physical characteristics of novel quaternary RuMnCrSi and NiMnCrAl compounds for spintronic and thermoelectric applications

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  12. Investigation of the structural, electronic, magnetic, and mechanical characteristics of double half-Heusler alloys V2Ni2Z′Z′′ (Z′ = Al, Ga and Z′′ = Sb, Sn) using ab initio computational methods

    Journal of Applied Physics · 2025-05-08

    N. A. Merali, Nurgul S. Soltanbek, Nursultan E. Sagatov, Aisulu U. Abuova, Vladimir V. Khovaylo, Fatima U. Abuova, Talgat M. Inerbaev

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  13. Comparative theoretical analysis of structural, optical, electronic, and thermoelectric properties of bulk and thin films of CaTiO3 and ZnTiO3 for solar cell applications

    Computational Condensed Matter · 2025-05-28

    D. S. Jayalakshmi, M. Devotine, Nachimuthu Venkatesh, Rajesh Kumar Manavalan, Govindhasamy Murugadoss

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  14. Advanced materials for next-generation devices: insights into the structural, optical, and thermoelectric properties of Hf2Pd2AlBi and Hf2Pd2AlSb alloys

    Indian Journal of Physics · 2025-06-02

    Abdelhak Khatar, Mohammed Houari, T. Lantri, Samir BENTATA, Bouabdellah Bouadjemi, Zoubir Aziz, Ahmed Boucherdoud, Mokhtar Boudjelal

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  15. Exploring the multifunctional quaternary Heusler alloys for energy conversion: Insights into optical and thermoelectric performance from first-principles

    Journal of Physics and Chemistry of Solids · 2025-09-05

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  16. Influence of point defects on thermal conductivity in TiFe x Ni 1 − x Sb alloys

    Physical Review Materials · 2025-11-12

    Zhuoyang Ti, Jesús Carrete, Jingyu Li, Yongsheng Zhang, Georg K. H. Madsen

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  17. Comprehensive analysis of structural, mechanical, electronic, optical, and thermodynamic properties of an alternative semiconductor: Ti2MnCoS2 double half Heusler

    Journal of Materials Science · 2026-02-03

    Meryem Yurt, Evren Görkem Özdemir, Wisam Ayad Ahmed Ahmed, H. A. Rahnamaye Aliabad

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  18. Theoretical insights into the electronic, optical, mechanical and thermoelectric characteristics of double half-Heusler Nb 2 Sn 2 OsZ(Z=Pd,Pt)

    International Journal of Modern Physics B · 2026-03-20

    A. Zikem, Hakim Baaziz, T. Saadi, Torkia Ghellab, Zoulikha Charifi

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  19. First-principles calculations to investigate structural, electronic, mechanical, and optical properties of double half-Heusler alloys YNbPd2Sn2, and YNbPt2Sn2

    Next Materials · 2026-03-28

    C. Talukder, Nusrat Jahan, Usama Ahmed, M.M. Hossain, M. M. Uddin, M. A. Ali

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  20. Enhanced thermoelectric performance in Ca1-xEuxZn2Sb2 Zintl phases via compositional tuning

    International Communications in Heat and Mass Transfer · 2026-05-23

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  21. Cobalt‐Induced Strong Anharmonicity Coupled With Hierarchical Defect and Band Structure Engineering for Enhanced n‐ and p‐Type Thermoelectric Performance in ZrFe 0.5 Ni 0.5 Sb Double Half‐Heuslers

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  22. Comprehensive analysis of Mnx addition effects on the electronic, magnetic, thermodynamic, and optical properties of Zr2-xTcRhTe2 non-magnetic semiconductor double half-Heusler alloy

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  23. Unveiling the optoelectronic and thermoelectric properties of chalcopyrite ZnGe1-xSixP2 semiconductor alloys: A DFT study

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