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RESEARCH PAPER · Physics Letters A · 2018

Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi)

Minping Zhang, Junhong Wei, Guangtao Wang

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Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi)OriginalQuantum fluctuation in thermopower at the topological phase transition in CaSrX (X: Si, Ge, Sn, Pb) studied from first principles theory1Improved thermoelectric performance of p-doped half-Heusler Ti0.5Zr0.5CoSb0.5P0.5, Ti0.5Hf0.5CoSb0.5P0.5, and Zr0.5Hf0.5CoSb0.5P0.5 compounds5Electronic structure of the PrNiBi half-Heusler system based on the σGGA + U method19Magneto-optical effects in half metallic ferromagnets: Rare earth thallium tellurides (TlXTe2; X = Tb-Er)11Heusler alloys for spintronic devices: review on recent development and future perspectives451Design of half-heusler thermoelectric compound TiFe0.5Ni0.5Sb with special quasi-random structure using 18-electron rule10Improved thermoelectric properties of doped A0.5B0.5NiSn (A, B = Ti, Zr, Hf) with a special quasirandom structure4Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy14Thermodynamic, mechanical stabilities and thermoelectric behavior of the XVSi (X = Co, Rh) half-Heuslers3First-principles study of electronic structure and thermoelectric properties of p-type XIrSb(X = Ti, Zr and Hf) half-Heusler compounds25Stability of X-IV-IV half Heusler semiconductor alloys: a DFT study12Prediction of NbXGe (X = Rh, Ir) half-Heusler semiconducting compounds with promising thermoelectric property using 18-electron rule3Exchange-Correlation and Spin-Orbit Coupling Effects in 18-Electrons Transparent Conductors Half-Heusler: Ab-Initio Study1Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration30Exchange-correlation and spin-orbit coupling effects in 18-electrons transparent conductors half-Heusler: Ab-initio study14Structural, electronic, mechanical and phonon properties of half-Heusler GaNiSb, InNiSb and InPdSb alloys via first-principles calculations3Topological phonons and low lattice thermal conductivity of Li2CaX (X = Sn and Pb) type Heusler compounds5A novel valence-balanced double half-Heusler Ti2Zr2Hf2NbVFe5Ni3Sb8 alloy by high entropy engineering14Thermoelectric properties of doped topological half-Heusler LuPdBi1-xZx (Z = P, As, Sb) compounds0Strain effects on electronic and dynamical properties of half-Heusler semiconductors: insights from Meta-GGA5Iridium's influence on the structural, electronic and mechanical characteristics of ZrCo1-xIrxSb half-heusler alloys6Structural, electronic, magnetic, and thermoelectric properties of half Heusler alloys ZrCo1-XFeXSb (X = 0, 0.25, 0.5, 0.75, 1): A DFT study5Computational advances for energy conversion: Unleashing the potential of thermoelectric materials4Understanding the pressure effect on the physical properties of half-Heusler semiconductor LiCaX (X = As, Sb, N) compounds from Ab-initio calculations6Pressure-Influenced Comparative Investigation of Electronic, Optical, Structural, and Mechanical Properties of Non-toxic Halide Perovskites FrCaX3 (X = Cl, Br, and I): A First-Principles Investigation for Advanced Optoelectronic Applications10First-principles calculations to investigate structural, elastic, electronic, thermoelectric, dynamic, and optical properties of BeNaZ (Z = As, Sb, and Bi) Half-Heusler compounds11First-principles characterization of the native defect landscape across ZrIrSb and related half-Heusler chemistries0Heusler alloys for spintronic and magnetic applications0High carrier mobility and thermoelectric transport in 2D FeOCl-type HfNX (X = F, Cl, Br) monolayers0

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  1. Quantum fluctuation in thermopower at the topological phase transition in CaSrX (X: Si, Ge, Sn, Pb) studied from first principles theory

    Journal of Physics Condensed Matter · 2018-12-19

    P. C. Sreeparvathy, V. Kanchana

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  2. Improved thermoelectric performance of p-doped half-Heusler Ti0.5Zr0.5CoSb0.5P0.5, Ti0.5Hf0.5CoSb0.5P0.5, and Zr0.5Hf0.5CoSb0.5P0.5 compounds

    Materials Research Express · 2019-11-12

    Congcong Li, Jia Li, Xiujuan Mao, Ze Liu, Xiuting Xu, Yang Liu, Sukai Teng, Fuxing Yin

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  3. Electronic structure of the PrNiBi half-Heusler system based on the σGGA + U method

    Scientific Reports · 2019-12-27

    Leila Mikaeilzadeh, Ali Tavana, Farhad Khoeini

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  4. Magneto-optical effects in half metallic ferromagnets: Rare earth thallium tellurides (TlXTe2; X = Tb-Er)

    Optik · 2020-08-08

    Annveer, Rahul Gautam, Aman Kumar, Aman Kumar, Arvind Kumar, Arvind Kumar, Pawan Kumar Singh, Rishi Pal Singh

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  5. Heusler alloys for spintronic devices: review on recent development and future perspectives

    Science and Technology of Advanced Materials · 2020-08-21

    Kelvin Elphick, William Frost, Marjan Samiepour, Takahide Kubota, Kōki Takanashi, Hiroaki Sukegawa, Seiji Mitani, Atsufumi Hirohata

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  6. Design of half-heusler thermoelectric compound TiFe0.5Ni0.5Sb with special quasi-random structure using 18-electron rule

    Journal of Alloys and Compounds · 2020-10-23

    Yang Liu, Xiuting Xu, Wei Fang, Sukai Teng, Xinjian Xie, Linyang Li, Shanshan Fan, Jun Li, Jia Li

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  7. Improved thermoelectric properties of doped A0.5B0.5NiSn (A, B = Ti, Zr, Hf) with a special quasirandom structure

    Journal of Materials Science · 2020-11-12

    Xiuting Xu, Yang Liu, Wei Fang, Sukai Teng, Jiaxi Wang, Fuli He, Yafan Wang, Fuxing Yin, Jun Li, Jia Li

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  8. Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy

    Materials Science and Engineering B · 2020-12-11

    Muyiwa Kehinde Bamgbose, Paul O. Adebambo, G.T. Solola, G.A. Adebayo

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  9. Thermodynamic, mechanical stabilities and thermoelectric behavior of the XVSi (X = Co, Rh) half-Heuslers

    Indian Journal of Physics · 2021-03-06

    Maliheh Amiri, Arash Boochani, Borhan Arghavani Nia

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  10. First-principles study of electronic structure and thermoelectric properties of p-type XIrSb(X = Ti, Zr and Hf) half-Heusler compounds

    Materials Science in Semiconductor Processing · 2021-03-07

    Muyiwa Kehinde Bamgbose

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  11. Stability of X-IV-IV half Heusler semiconductor alloys: a DFT study

    Molecular Physics · 2021-06-03

    O. E. Osafile, J. O. Umukoro

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  12. Prediction of NbXGe (X = Rh, Ir) half-Heusler semiconducting compounds with promising thermoelectric property using 18-electron rule

    Applied Physics A · 2021-12-15

    Yafan Wang, Jia Li, Jiaxi Wang, Fuli He, Xiuting Xu, Yang Liu, Fuxing Yin

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  13. Exchange-Correlation and Spin-Orbit Coupling Effects in 18-Electrons Transparent Conductors Half-Heusler: Ab-Initio Study

    SSRN Electronic Journal · 2022-01-01

    Kamel Demmouche, Djallal Eddine Mellah

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  14. Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration

    Materials Today Physics · 2022-05-06

    Hongmei Yuan, Shulin Han, Rui Hu, Wen-Na Jiao, Mengke Li, Huijun Liu, Ying Fang

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  15. Exchange-correlation and spin-orbit coupling effects in 18-electrons transparent conductors half-Heusler: Ab-initio study

    Computational Condensed Matter · 2022-07-04

    Djallal Eddine Mellah, Kamel Demmouche

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  16. Structural, electronic, mechanical and phonon properties of half-Heusler GaNiSb, InNiSb and InPdSb alloys via first-principles calculations

    Computational Condensed Matter · 2022-12-16

    Rita John, Anubama Rajendran

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  17. Topological phonons and low lattice thermal conductivity of Li2CaX (X = Sn and Pb) type Heusler compounds

    Materials Today Communications · 2023-05-26

    Vineet Kumar Sharma, V. Kanchana, Mayanak K. Gupta, R. Mittal

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  18. A novel valence-balanced double half-Heusler Ti2Zr2Hf2NbVFe5Ni3Sb8 alloy by high entropy engineering

    Materials Today Physics · 2023-07-14

    Chaoyue Wang, Xianglin Zhou, Daoyong Cong, Guodong Tang, Jun Yang

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  19. Thermoelectric properties of doped topological half-Heusler LuPdBi1-xZx (Z = P, As, Sb) compounds

    Journal of Materials Science Materials in Electronics · 2024-04-01

    Narender Kumar, Hardev S. Saini, Nisha Sheoran, Manish K. Kashyap

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  20. Strain effects on electronic and dynamical properties of half-Heusler semiconductors: insights from Meta-GGA

    Physica Scripta · 2024-05-02

    Djallal Eddine Mellah, Kamel Demmouche, Djamel Bezzerga

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  21. Iridium's influence on the structural, electronic and mechanical characteristics of ZrCo1-xIrxSb half-heusler alloys

    Physica B Condensed Matter · 2024-06-01

    B Abdelkebir, Zoulikha Charifi, Hakim Baaziz, Torkia Ghellab, R. Khenata, Saad Bin-Omran

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  22. Structural, electronic, magnetic, and thermoelectric properties of half Heusler alloys ZrCo1-XFeXSb (X = 0, 0.25, 0.5, 0.75, 1): A DFT study

    Solid State Sciences · 2024-07-06

    R. Meenakshi, R. Aram Senthil Srinivasan, A. Amudhavalli, Kombiah Iyakutti, Yoshiyuki Kawazoe, Ratnavelu RAJESWARAPALANICHAMY

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  23. Computational advances for energy conversion: Unleashing the potential of thermoelectric materials

    Solid State Sciences · 2024-09-25

    Venkatakrishnan Kanchana, Vineet Kumar Sharma, Sushree Sarita Sahoo

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  24. Understanding the pressure effect on the physical properties of half-Heusler semiconductor LiCaX (X = As, Sb, N) compounds from Ab-initio calculations

    Materials Science in Semiconductor Processing · 2024-10-22

    Yasemin Oztekin Ciftci, B. Kocak, Engin Ateşer

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  25. Pressure-Influenced Comparative Investigation of Electronic, Optical, Structural, and Mechanical Properties of Non-toxic Halide Perovskites FrCaX3 (X = Cl, Br, and I): A First-Principles Investigation for Advanced Optoelectronic Applications

    Journal of Inorganic and Organometallic Polymers and Materials · 2025-04-02

    Mohshina Binte Mansur, Fariha Farhan, Nusrat Jahan Nisha, Md. Bayjid Hossain Parosh, Bushra Anam, Istiak Ahmed Ovi, Jehan Y. Al‐Humaidi, Md. Rasidul Islam

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  26. First-principles calculations to investigate structural, elastic, electronic, thermoelectric, dynamic, and optical properties of BeNaZ (Z = As, Sb, and Bi) Half-Heusler compounds

    Materials Science and Engineering B · 2025-04-14

    Yasemin Oztekin Ciftci, Noorhan F. AlShaikh Mohammad, Jihad Asad

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  27. First-principles characterization of the native defect landscape across ZrIrSb and related half-Heusler chemistries

    Journal of Materials Chemistry C · 2026-01-01

    Angela Pak, Elif Ertekin

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  28. Heusler alloys for spintronic and magnetic applications

    Handbook of magnetic materials · 2026-01-01

    Atsufumi Hirohata, Esita Pandey, Shogo Yamashita, Hiroki Koizumi, Gerhard H. Fecher, Claudia Felser

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  29. High carrier mobility and thermoelectric transport in 2D FeOCl-type HfNX (X = F, Cl, Br) monolayers

    Computational Condensed Matter · 2026-03-11

    Zhiye Deng, Simin Xue, Yang Zhang, Ting Song, Xilong Dou

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