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RESEARCH PAPER · NORA - Norwegian Open Research Archives · 2019

Thermoelectric transport trends in group 4 half-Heusler alloys

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Thermoelectric transport trends in group 4 half-Heusler alloysOriginalImpact of the scattering physics on the power factor of complex thermoelectric materials59Electronic structure and thermoelectric properties of full Heusler compounds Ca 2 YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb)19Shallow Impurity Band in ZrNiSn10Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors79Advanced Thermoelectrics10First principles prediction of structural, mechanical and thermodynamic stability in new 18-valence electron XVZ (X = Fe, Ni, Z = Ga, As) half-Heusler semiconductors3High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity14Effect of hybrid density functionals on half–Heusler LiZnX (X = N, P and As) semiconductors: potential materials for photovoltaic and thermoelectric applications46Screening of thermoelectric silicides with atomistic transport calculations7Beyond 3D-traditional materials thermoelectric materials3A first-principles study of the structural, electronic, optical, and vibrational properties for paramagnetic half-Heusler compound TiIrBi by GGA and GGA + mBJ functional25Decisive role of interstitial defects in half-Heusler semiconductors: An ab initio study13First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y = Cu, Ag) Heusler alloys89Lattice thermal conductivity of half-Heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis35Attaining Low Lattice Thermal Conductivity in Half-Heusler Sublattice Solid Solutions: Which Substitution Site Is Most Effective?8In Situ Evolution of Secondary Metallic Phases in Off-Stoichiometric ZrNiSn for Enhanced Thermoelectric Performance34Electronic transport computation in thermoelectric materials: from ab initio scattering rates to nanostructures8A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds24Physical studies of spintronics-based Heusler alloys63First-principles calculations to investigate structural, mechanical, electronic, transport and thermoelectric properties of XTiPd(X=Si, Ge, Sn, Pb) Half Heusler alloys5Thermoelectric transport of strained CsK 2 Sb : Role of electron velocities and scattering within extended Fermi surfaces6Unraveling the multifunctional capabilities of MnCoSb half-Heusler alloy: A computational exploration of structural, mechanical, optical, and thermoelectric properties5

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  1. Impact of the scattering physics on the power factor of complex thermoelectric materials

    Journal of Applied Physics · 2019-10-16

    Patrizio Graziosi, Chathurangi S. Kumarasinghe, Neophytos Neophytou

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  2. Electronic structure and thermoelectric properties of full Heusler compounds Ca 2 YZ (Y = Au, Hg; Z = As, Sb, Bi, Sn and Pb)

    RSC Advances · 2020-01-01

    Yang Hu, Yurong Jin, Guangbiao Zhang, Yuli Yan

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  3. Shallow Impurity Band in ZrNiSn

    NORA - Norwegian Open Research Archives · 2020-01-01

    Matthias Schrade, Kristian Berland, Andrey Kosinskiy, Joseph P. Heremans, T. G. Finstad

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  4. Characterization of rattling in relation to thermal conductivity: Ordered half-Heusler semiconductors

    Physical review. B./Physical review. B · 2020-02-04

    Zhenzhen Feng, Yuhao Fu, Yongsheng Zhang, David Joseph Singh

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  5. Advanced Thermoelectrics

    Journal of Applied Physics · 2020-02-10

    George S. Nolas, Lilia M. Woods, Ryoji Funahashi

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  6. First principles prediction of structural, mechanical and thermodynamic stability in new 18-valence electron XVZ (X = Fe, Ni, Z = Ga, As) half-Heusler semiconductors

    Semiconductor Science and Technology · 2020-07-03

    O. E. Osafile, J.O. Azi

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  7. High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity

    Journal of Physics Condensed Matter · 2020-07-06

    Shulin Han, Zhifang Zhou, Caiyu Sheng, J. H. Liu, L Wang, Hongkuang Yuan, Huijun Liu

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  8. Effect of hybrid density functionals on half–Heusler LiZnX (X = N, P and As) semiconductors: potential materials for photovoltaic and thermoelectric applications

    Physica Scripta · 2020-07-31

    Peeyush Kumar Kamlesh, Pravesh, Sarita Kumari, Ajay Singh Verma

    Read original paper ↗ ·
  9. Screening of thermoelectric silicides with atomistic transport calculations

    Journal of Applied Physics · 2020-09-23

    Ole Martin Løvvik, Espen Flage−Larsen, Gunstein Skomedal

    Read original paper ↗ ·
  10. Beyond 3D-traditional materials thermoelectric materials

    Elsevier eBooks · 2021-01-01

    Manish K. Kashyap, Renu Singla

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  11. A first-principles study of the structural, electronic, optical, and vibrational properties for paramagnetic half-Heusler compound TiIrBi by GGA and GGA + mBJ functional

    Materials Today Communications · 2021-03-11

    Abdullah Candan, A.K. Kushwaha

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  12. Decisive role of interstitial defects in half-Heusler semiconductors: An ab initio study

    Physical Review Materials · 2021-03-22

    Poulumi Dey, Biswanath Dutta

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  13. First-principles calculations of structural, elastic, electronic, and optical properties of CaYP (Y = Cu, Ag) Heusler alloys

    Emergent Materials · 2021-03-25

    Lamia Drici, Fadila Belkharroubi, Fatima Zohra Boufadi, Ibrahim Ameri, M. Ameri, Walid Belkilali, Saliha Azzi, Friha Khelfaoui, Yarub Al-Douri

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  14. Lattice thermal conductivity of half-Heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis

    Computational Materials Science · 2021-10-20

    Rasmus Tranås, Ole Martin Løvvik, Oliver Tomić, Kristian Berland

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  15. Attaining Low Lattice Thermal Conductivity in Half-Heusler Sublattice Solid Solutions: Which Substitution Site Is Most Effective?

    Electronic Materials · 2022-01-05

    Rasmus Tranås, Ole Martin Løvvik, Kristian Berland

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  16. In Situ Evolution of Secondary Metallic Phases in Off-Stoichiometric ZrNiSn for Enhanced Thermoelectric Performance

    ACS Applied Materials & Interfaces · 2022-04-20

    Kishor Kumar Johari, Durgesh Kumar Sharma, Ajay Kumar Verma, Ruchi Bhardwaj, Nagendra S. Chauhan, Sudhir Kumar, Manvendra Narayan Singh, Sivaiah Bathula, Bhasker Gahtori

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  17. Electronic transport computation in thermoelectric materials: from ab initio scattering rates to nanostructures

    Journal of Computational Electronics · 2023-07-09

    Neophytos Neophytou, Pankaj Priyadarshi, Zhen Li, Patrizio Graziosi

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

    Physica B Condensed Matter · 2024-02-23

    İlknur Kars Durukan, Yasemin Oztekin Ciftci, Hatice Tekin

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  19. Physical studies of spintronics-based Heusler alloys

    Critical reviews in solid state and materials sciences/CRC critical reviews in solid state and materials sciences · 2024-10-09

    Yarub Al-Douri, M. Ameri

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  20. First-principles calculations to investigate structural, mechanical, electronic, transport and thermoelectric properties of XTiPd(X=Si, Ge, Sn, Pb) Half Heusler alloys

    Journal of Physics and Chemistry of Solids · 2025-03-15

    Athira Mohan, Rita John

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  21. Thermoelectric transport of strained CsK 2 Sb : Role of electron velocities and scattering within extended Fermi surfaces

    Physical review. B./Physical review. B · 2025-05-09

    Øven A. Grimenes, Gerald Jeffrey Snyder, Ole Martin Løvvik, Kristian Berland

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  22. Unraveling the multifunctional capabilities of MnCoSb half-Heusler alloy: A computational exploration of structural, mechanical, optical, and thermoelectric properties

    Journal of Physics and Chemistry of Solids · 2025-08-23

    Vipin Kumar Gupta, Raj Kumar, Upendra Kumar

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