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RESEARCH PAPER · Solid State Sciences · 2022

Computational prediction of high thermoelectric performance in MPtSn (M = Ti, Zr, and Hf) half-Heusler compounds by first-principle study

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Computational prediction of high thermoelectric performance in MPtSn (M = Ti, Zr, and Hf) half-Heusler compounds by first-principle studyOriginalHalf metallic Heusler alloys XMnGe (X = Ti, Zr, Hf) for spin flip and thermoelectric device application – Material computations24First-Principle Calculations to Investigate the Elastic, Thermoelectric, and Electronic Performances of XRhSn (X = V, Nb, Ta) Half-Heusler Compounds4Intraband and interband transitions in X$_2$MnSi(X=Fe,Co,Ni), Fe$_2$YSi(Y=V,Cr,Mn) and Fe$_2$MnZ(Z=Si,Ge,Sn) full-Heusler alloys: first principles calculations2Effect of Hydrostatic Pressure on the Thermoelectric Properties of a p-type HfIrBi Compound0Half-Heusler Tixsn (X = Pd, Pt and Ni): Electronic, Vibrational, and Defect Properties from First-Principles Calculations0First-principles study on the lattice dynamics, electronic, mechanical, and thermoelectric properties of half-heusler compounds TiXSn (X = Ni, Pd, Pt)15Computational analysis on novel half Heusler alloys XPdSi(X=Ti,Zr,Hf) for waste heat recycling process5Thermoelectric properties of the main species present in Portland cement pastes20Effect of temperature and carrier concentration on the scattering mechanisms and mobility in TiPtSn half-heusler alloy1Ab-initio technique to examine the mechanical, electronic, optical and thermal features of direct band-gap semiconductors APtSn (A = Ti, Zr, Hf, Th): an extended review2Recent progress in multiscale synergistic optimization of thermoelectric materials: from structural regulation to mechanistic innovation0Effects of Zn doping on the mechanical and thermoelectric properties of calcium silicate hydrate0

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  1. Half metallic Heusler alloys XMnGe (X = Ti, Zr, Hf) for spin flip and thermoelectric device application – Material computations

    Materials Science in Semiconductor Processing · 2023-02-17

    Shobana Priyanka D, Gopal Venkatesh, M. Srinivasan, Govindasamy Palanisamy, P. Ramasamy

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  2. First-Principle Calculations to Investigate the Elastic, Thermoelectric, and Electronic Performances of XRhSn (X = V, Nb, Ta) Half-Heusler Compounds

    Journal of Superconductivity and Novel Magnetism · 2023-03-01

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

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  3. Intraband and interband transitions in X$$_2$$MnSi(X=Fe,Co,Ni), Fe$$_2$$YSi(Y=V,Cr,Mn) and Fe$$_2$$MnZ(Z=Si,Ge,Sn) full-Heusler alloys: first principles calculations

    The European Physical Journal Plus · 2023-03-29

    Jaafar Jalilian, G. Rezaei, Behrooz Vaseghi, Faramarz Kanjouri, Fardin Taghizadeh, Ali Ramazani

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  4. Effect of Hydrostatic Pressure on the Thermoelectric Properties of a p-type HfIrBi Compound

    Journal of Electronic Materials · 2023-10-31

    Fanbin Hu, Rundong Wan, Zhengfu Zhang, Guocai Tian, Ying Lei

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  5. Half-Heusler Tixsn (X = Pd, Pt and Ni): Electronic, Vibrational, and Defect Properties from First-Principles Calculations

    SSRN Electronic Journal · 2024-01-01

    Alex Antonelli, Mateus Corradini Lopes

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  6. First-principles study on the lattice dynamics, electronic, mechanical, and thermoelectric properties of half-heusler compounds TiXSn (X = Ni, Pd, Pt)

    Materials Today Communications · 2024-01-06

    Mingyao Xiong, Shumin Yang

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  7. 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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  8. Thermoelectric properties of the main species present in Portland cement pastes

    Cement and Concrete Research · 2024-06-26

    Ridwan O. Agbaoye, Jozef Janovec, Andrés Ayuela, Jorge S. Dolado

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  9. Effect of temperature and carrier concentration on the scattering mechanisms and mobility in TiPtSn half-heusler alloy

    Journal of Physics Conference Series · 2025-06-01

    E J Jabal, Carlos Baldo

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  10. Ab-initio technique to examine the mechanical, electronic, optical and thermal features of direct band-gap semiconductors APtSn (A = Ti, Zr, Hf, Th): an extended review

    Optical and Quantum Electronics · 2025-06-24

    Dayal Chandra Roy, Norah Algethami, Samiron Kumar Saha, Mst. Asma Khatun, Md. Zahid Hasan, Mufrat Montasir, Nazmul Islam Nahid, Md. Ferdous Rahman, Md. Atikur Rahman

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  11. Recent progress in multiscale synergistic optimization of thermoelectric materials: from structural regulation to mechanistic innovation

    Journal of Physics Condensed Matter · 2025-10-17

    Jiawei Cui, Yinchang Zhao, Zhenhong Dai

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  12. Effects of Zn doping on the mechanical and thermoelectric properties of calcium silicate hydrate

    Journal of Molecular Modeling · 2026-07-08

    Jiaxin Wang, Guili Liu, Lin Wei

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