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RESEARCH PAPER · Journal of Physics Condensed Matter · 2021

High thermoelectric performance of half-Heusler Zr X Pb ( X = Ni, Pd, and Pt) compounds from first principle calculation

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High thermoelectric performance of half-Heusler Zr X Pb ( X = Ni, Pd, and Pt) compounds from first principle calculationOriginalFirst-principle investigation on the thermoelectric properties of XCoGe (X = V, Nb, and Ta) half-Heusler compounds26First-principles investigations of Zr-based quaternary Heusler alloys for spintronic and thermoelectric applications31First-principle investigation on the thermoelectric and electronic properties of HfCoX (X=As, Sb, Bi) half-Heusler compounds18Electronic Structure-, Phonon Spectrum-, and Effective Mass- Related Thermoelectric Properties of PdXSn (X = Zr, Hf) Half Heuslers36Predicting the Thermoelectric Performance of p-type VFeBi Based on Scattering Mechanisms2Electronic structure, elastic and transport properties of new Palladium-based Half-Heusler materials for thermoelectric applications15Influence of Strain on Thermoelectric Properties of NaYX (X=C,Ge) Half-Heusler Compounds5FP-LAPW study of structural, magnetic, electronic, elastic, and thermoelectric properties of CoCrS Half-Heusler compound7Unravelling the structural, electronic, mechanical and thermoelectric properties of half-Heusler alloys NaYX (X = C, Si, Ge, Sn)5Investigating of structural, electronic, magnetic, dynamic, and thermoelectric properties of CoCrSe half-Heusler compound using FP-LAPW method9First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound13High-entropy thermoelectric materials127Computational analysis on novel half Heusler alloys XPdSi(X=Ti,Zr,Hf) for waste heat recycling process5Thermoelectric properties of low thermal conductivity half Heuslers TiXPb (X = Ni, Pd, Pt): A first principles investigation10Unravelling the effect of strain on the electronic structure, elastic and thermoelectric properties of half-Heusler alloy CoHfSi4First principles study of thermoelectric performance and efficiency of the ternary half-Heusler semiconductor LiMgAs: using GGA and meta-GGA methods7Effect of Zr Doping on Thermoelectric Properties of n-Type HfPtPb Compounds0First-principle investigation of optoelectronic and thermoelectric properties in XYGe (X = Li, K) half-Heusler compounds at different exchange correlation functional1First-principles calculations to investigate structural, elastic, electronic, thermoelectric, dynamic, and optical properties of BeNaZ (Z = As, Sb, and Bi) Half-Heusler compounds11High ZT and low lattice thermal conductivity in defective half-Heusler Zr 0.75 PtSb 1 − x Bi x alloys: promising for mid- and high-temperature thermoelectric applications2

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  1. First-principle investigation on the thermoelectric properties of XCoGe (X = V, Nb, and Ta) half-Heusler compounds

    Materials Science in Semiconductor Processing · 2021-12-07

    Xilin Xiong, Rundong Wan, Zhengfu Zhang, Ying Lei, Guocai Tian

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  2. First-principles investigations of Zr-based quaternary Heusler alloys for spintronic and thermoelectric applications

    Computational Materials Science · 2022-04-28

    Hind Alqurashi, Raad Edaan Haleoot, Bothina A. Hamad

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  3. First-principle investigation on the thermoelectric and electronic properties of HfCoX (X=As, Sb, Bi) half-Heusler compounds

    Journal of Solid State Chemistry · 2022-07-05

    Kai Yang, Rundong Wan, Zhengfu Zhang, Ying Lei, Guocai Tian

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  4. Electronic Structure-, Phonon Spectrum-, and Effective Mass- Related Thermoelectric Properties of PdXSn (X = Zr, Hf) Half Heuslers

    Molecules · 2022-10-04

    Bindu Rani, Aadil Fayaz Wani, Utkirjon Sharopov, Lokanath Patra, Jaspal Singh, Atif Mossad Ali, Alaa Farag Abd El-Rehim, Shakeel Ahmad Khandy, Shobhna Dhiman, Kulwinder Kaur

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  5. Predicting the Thermoelectric Performance of p-type VFeBi Based on Scattering Mechanisms

    Journal of Electronic Materials · 2022-12-12

    Yequan Hu, Rundong Wan, Zhengfu Zhang, Zhongcheng Guo, Guocai Tian

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  6. Electronic structure, elastic and transport properties of new Palladium-based Half-Heusler materials for thermoelectric applications

    Materials Today Communications · 2023-06-17

    Bindu Rani, Shakeel Ahmad Khandy, Jaspal Singh, Ajay Singh Verma, Atif Mossad Ali, Shobhna Dhiman, Kulwinder Kaur

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  7. Influence of Strain on Thermoelectric Properties of NaYX (X=C,Ge) Half-Heusler Compounds

    Journal of Superconductivity and Novel Magnetism · 2024-01-10

    Savita Grewal, Suresh Kumar, Kulwinder Kaur, Ranjan Kumar

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  8. FP-LAPW study of structural, magnetic, electronic, elastic, and thermoelectric properties of CoCrS Half-Heusler compound

    AIP Advances · 2024-04-01

    Noorhan F. AlShaikh Mohammad, Mohammed S. Abu-Jafar, Jihad Asad, Mahmoud Farout, Abdelmadjid Bouhemadou, Ahmad A. Mousa, R. Khenata, Nazia Iram, Abdullah Chik

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  9. Unravelling the structural, electronic, mechanical and thermoelectric properties of half-Heusler alloys NaYX (X = C, Si, Ge, Sn)

    Computational Condensed Matter · 2024-04-26

    Savita Grewal, M.K. Surehli, Shagun Nag, Ranjan Kumar

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  10. Investigating of structural, electronic, magnetic, dynamic, and thermoelectric properties of CoCrSe half-Heusler compound using FP-LAPW method

    The European Physical Journal B · 2024-05-01

    Noorhan F. AlShaikh Mohammad, Mohammed S. Abu-Jafar, Jihad Asad, Abdelmadjid Bouhemadou, Ahmad A. Mousa, R. Khenata, Abdullah Chik

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  11. First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound

    Optical and Quantum Electronics · 2024-05-09

    Noorhan F. AlShaikh Mohammad, Mohammed S. Abu-Jafar, Jihad Asad, Abdelmadjid Bouhemadou, Ahmad A. Mousa, R. Khenata, Abdullah Chik

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  12. High-entropy thermoelectric materials

    Joule · 2024-05-14

    Qiqi Tang, Binbin Jiang, Keli Wang, Wu Wang, Baohai Jia, Tianpeng Ding, Zhenlong Huang, Yuan Lin, Jiaqing He

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  13. Computational analysis on novel half Heusler alloys XPdSi(X=Ti,Zr,Hf) for waste heat recycling process

    Materials Science in Semiconductor Processing · 2024-05-23

    Shobana Priyanka D, M. Srinivasan, Sudharsan Balasubramanian, Kozo Fujiwara

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  14. Thermoelectric properties of low thermal conductivity half Heuslers TiXPb (X = Ni, Pd, Pt): A first principles investigation

    Computational Materials Science · 2024-07-27

    Prakash Khatri, Narayan Prasad Adhikari, Prasenjit Ghosh

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  15. Unravelling the effect of strain on the electronic structure, elastic and thermoelectric properties of half-Heusler alloy CoHfSi

    Physica Scripta · 2024-11-25

    Sadhana Matth, Shail Pandey, Himanshu Pandey

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  16. First principles study of thermoelectric performance and efficiency of the ternary half-Heusler semiconductor LiMgAs: using GGA and meta-GGA methods

    Indian Journal of Physics · 2024-11-30

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

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  17. Effect of Zr Doping on Thermoelectric Properties of n-Type HfPtPb Compounds

    Journal of Electronic Materials · 2025-02-09

    Hao Wei, Rundong Wan, Zhengfu Zhang, Fanbin Hu, Guocai Tian, Huilong Luo

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  18. First-principle investigation of optoelectronic and thermoelectric properties in XYGe (X = Li, K) half-Heusler compounds at different exchange correlation functional

    Materials Science and Engineering B · 2025-03-18

    Dinesh Kumar, Prakash Chand, Lalit Mohan

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  19. 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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  20. High ZT and low lattice thermal conductivity in defective half-Heusler Zr 0.75 PtSb 1 − x Bi x alloys: promising for mid- and high-temperature thermoelectric applications

    Journal of Physics Condensed Matter · 2025-10-16

    Suman Mahakal, Subrata Jana, Prasanjit Samal

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