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RESEARCH PAPER · arXiv (Cornell University) · 2018

Looking for new thermoelectric materials among the TMX intermetallics using high-throughput calculations

Céline Barreteau, Jean‐Claude Crivello, Jean‐Marc Joubert, E. Alleno

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24 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Looking for new thermoelectric materials among the TMX intermetallics using high-throughput calculationsOriginalThermoelectric transport trends in group 4 half-Heusler alloys22Effectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials36Electronic structure as a guide in screening for potential thermoelectrics: Demonstration for half-Heusler compounds50Thermoelectric transport trends in group 4 half-Heusler alloys28Determination of structural disorder in Heusler-type phases17Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials49Effect of hybrid density functionals on half–Heusler LiZnX (X = N, P and As) semiconductors: potential materials for photovoltaic and thermoelectric applications46High-throughput design of magnetic materials52Optimization of Criteria for an Efficient Screening of New Thermoelectric Compounds: The TiNiSi Structure-Type as a Case-Study10The structural, mechanical and electronic properties of NbXSi (X=Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt) compounds from first-principles calculations20High-throughput design of magnetic materials3Review of high-throughput computational design of Heusler alloys84Low thermal conductivity: fundamentals and theoretical aspects in thermoelectric applications88Database Construction for Two-Dimensional Material-Substrate Interfaces8Discarded gems: Thermoelectric performance of materials with band gap emerging at the hybrid-functional level9First-principle predictions of the electric and thermal transport performance on high-temperature thermoelectric semiconductor MnTe26Heusler alloys: Past, properties, new alloys, and prospects267SrCuP and SrCuSb Zintl phases as potential thermoelectric materials11Closed‐Loop Error‐Correction Learning Accelerates Experimental Discovery of Thermoelectric Materials14Screening New Quaternary Semiconductor Heusler Compounds By Machine-Learning Methods8Computational and Data‐Driven Development of Thermoelectric Materials0Predicting of structural, elastic, vibration, and thermodynamic properties of XThSn (X = Pt and Ni) thermoelectric materials3Predicted thermodynamic structural and elastic properties of SrCuP and SrCuSb for thermoelectric applications9Prediction of ABX Compounds (X = As, Sn, Sb, Pb, or Bi) with the MgAgAs Structure Type and Their Crystal Lattice Parameters0

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  1. Thermoelectric transport trends in group 4 half-Heusler alloys

    NORA - Norwegian Open Research Archives · 2019-01-01

    Kristian Berland, Nina Shulumba, Olle Hellman, Clas Persson, Ole Martin Løvvik

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  2. Effectiveness of nanoinclusions for reducing bipolar effects in thermoelectric materials

    Computational Materials Science · 2019-04-10

    Samuel Foster, Neophytos Neophytou

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  3. Electronic structure as a guide in screening for potential thermoelectrics: Demonstration for half-Heusler compounds

    Physical review. B./Physical review. B · 2019-08-12

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

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  4. Thermoelectric transport trends in group 4 half-Heusler alloys

    Journal of Applied Physics · 2019-10-08

    Kristian Berland, Nina Shulumba, Olle Hellman, Clas Persson, Ole Martin Løvvik

    Read original paper ↗ ·

  5. Determination of structural disorder in Heusler-type phases

    Computational Materials Science · 2019-10-15

    В.В. Ромака, Gerda Rogl, A. Grytsiv, Peter Franz Rogl

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  6. Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials

    Materials Horizons · 2020-01-01

    Prashun Gorai, Alex M. Ganose, Alireza Faghaninia, Anubhav Jain, Vladan Stevanović

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  7. 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

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  8. High-throughput design of magnetic materials

    Electronic Structure · 2020-09-24

    Hongbin Zhang

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  9. Optimization of Criteria for an Efficient Screening of New Thermoelectric Compounds: The TiNiSi Structure-Type as a Case-Study

    ACS Combinatorial Science · 2020-10-20

    Céline Barreteau, Jean‐Claude Crivello, Jean-Marc Joubert, E. Alleno

    Read original paper ↗ ·

  10. The structural, mechanical and electronic properties of NbXSi (X=Fe, Co, Ni, Ru, Rh, Pd, Os, Ir and Pt) compounds from first-principles calculations

    Materials Chemistry and Physics · 2020-11-11

    Dan Hong, Wei Dong Zeng, Fusheng Liu, Bin Tang, Qi‐Jun Liu

    Read original paper ↗ ·

  11. High-throughput design of magnetic materials

    Technischen Universität Darmstadt · 2021-01-01

    Hongbin Zhang

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  12. Review of high-throughput computational design of Heusler alloys

    Journal of Alloys and Compounds · 2021-02-05

    Sicong Jiang, Kesong Yang

    Read original paper ↗ ·

  13. Low thermal conductivity: fundamentals and theoretical aspects in thermoelectric applications

    Materials Today Energy · 2021-04-07

    Hossein Asnaashari Eivari, Zihab Sohbatzadeh, Paolo Mele, M. Hussein N. Assadi

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  14. Database Construction for Two-Dimensional Material-Substrate Interfaces

    Chinese Physics Letters · 2021-06-01

    Xian‐Li Zhang, Jinbo Pan, Xin Jin, Yanfang Zhang, Jia‐Tao Sun, Yuyang Zhang, and Shixuan Du

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  15. Discarded gems: Thermoelectric performance of materials with band gap emerging at the hybrid-functional level

    Applied Physics Letters · 2021-08-23

    Kristian Berland, Ole Martin Løvvik, Rasmus Tranås

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  16. First-principle predictions of the electric and thermal transport performance on high-temperature thermoelectric semiconductor MnTe2

    Journal of Alloys and Compounds · 2021-11-24

    Haoqin Ma, Houjiang Yang, Xiaolian Zhang, Bo Duan, Wenjuan Li, Pengcheng Zhai, Guodong Li

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  17. Heusler alloys: Past, properties, new alloys, and prospects

    Progress in Materials Science · 2022-09-21

    Sheron Stephany Tavares, Kesong Yang, Marc André Meyers

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  18. SrCuP and SrCuSb Zintl phases as potential thermoelectric materials

    Journal of Alloys and Compounds · 2023-02-01

    Adrien Moll, A. Hamidou, Jean‐Claude Crivello, Jean‐Marc Joubert, E. Alleno, Céline Barreteau

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  19. Closed‐Loop Error‐Correction Learning Accelerates Experimental Discovery of Thermoelectric Materials

    Advanced Materials · 2023-06-28

    Hitarth Choubisa, Md Azimul Haque, Tong Zhu, Lewei Zeng, Maral Vafaie, Derya Baran, Edward Hartley Sargent

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  20. Screening New Quaternary Semiconductor Heusler Compounds By Machine-Learning Methods

    Chemistry of Materials · 2023-09-08

    Runan Xie, Jean‐Claude Crivello, Céline Barreteau

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  21. Computational and Data‐Driven Development of Thermoelectric Materials

    Unknown journal · 2023-12-08

    Prashun Gorai, Michael Y. Toriyama

    Read original paper ↗ ·

  22. Predicting of structural, elastic, vibration, and thermodynamic properties of XThSn (X = Pt and Ni) thermoelectric materials

    Physica Scripta · 2024-12-02

    Yasemin Oztekin Ciftci, Nadhira Bioud, İlknur Kars Durukan

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  23. Predicted thermodynamic structural and elastic properties of SrCuP and SrCuSb for thermoelectric applications

    Scientific Reports · 2025-02-03

    Nadhira Bioud, Nadjet Benchiheub, Ammar Benamrani, Mohamed Amine Ghebouli, Messaoud Fatmi, Faisal Katib Alanazi, Radhia Yekhlef

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  24. Prediction of ABX Compounds (X = As, Sn, Sb, Pb, or Bi) with the MgAgAs Structure Type and Their Crystal Lattice Parameters

    Inorganic Materials Applied Research · 2025-09-24

    N. N. Kiseleva, V. A. Dudarev, A. V. Stolyarenko, Oleg Valentinovich Sen'ko, A. A. Dokukin, Yu. O. Kuznetsova

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