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RESEARCH PAPER · Physical Review Applied · 2020

Thermoelectric Performance of the Half-Heusler Phases R Ni Sb ( R = Sc , Dy , Er , Tm , Lu ): High Mobility Ratio between Majority and Minority Charge Carriers

Kamil Ciesielski, Karol Synoradzki, Igor Veremchuk, P. Skokowski, Damian Szymański, Yuri Grin, D. Kaczorowski

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Thermoelectric Performance of the Half-Heusler Phases R Ni Sb ( R = Sc , Dy , Er , Tm , Lu ): High Mobility Ratio between Majority and Minority Charge CarriersOriginalAdvances in half-Heusler alloys for thermoelectric power generation274Mobility Ratio as a Probe for Guiding Discovery of Thermoelectric Materials: The Case of Half-Heusler Phase ScNiSb1−xTex20Analyses of low-temperature transport and thermoelectric properties of polycrystalline undoped n-ZrNiSn15A Study of thermoelectric properties of Hf-doped RhTiP Half-Heusler alloy3Role of R-f states on electronic structure and thermoelectric performance of RNiSb (R = Gd, Er and Lu) half Heusler compounds: narrow gap thermoelectric materials8Key properties of inorganic thermoelectric materials—tables (version 1)127Narrow gap electronic structure and thermoelectric performance of p-type ErMSb (M = Ni, Pd) half Heusler compounds8Unsupervised machine learning for discovery of promising half-Heusler thermoelectric materials102Multi-band simultaneous fits of transport data on p-type ScNiSb with including impurity conduction15Discovery of YbNiSb-Based Half-Heusler Alloys as Promising Thermoelectric Materials10Common Topological Features in Band Structure of RNiSb and RSb Compounds for R = Tb, Dy, Ho11Simultaneous optimization of the electrical and thermal transport properties of LuNiSb via aliovalent doping8Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition11Physical properties of the full Heusler-type Ru2-Fe NbAl (x = 0.00–0.50) alloys3Strong Scattering from Low-Frequency Rattling Modes Results in Low Thermal Conductivity in Antimonide Clathrate Compounds20On electrical transport and thermoelectric performance in Half-Heusler phase ScNiSb3Semimetallic, Half-Metallic, Semiconducting, and Metallic States in Gd-Sb Compounds11Electronic structure, elastic and transport properties of new Palladium-based Half-Heusler materials for thermoelectric applications15ZrNiSn-based compounds with high thermoelectric performance and ultralow lattice thermal conductivity via introduction of multiscale scattering centers26Optoelectronic and thermoelectronic properties of 3d, 4d, and 5d based semiconductor half-Heuslers (Ni/Pd/Pt)ScSb with narrow bandgap22Development of Thermoelectric Half-Heusler Alloys over the Past 25 Years84Thermoelectric Performance of Ca2Si Synthesized by High-Temperature Melting1Comprehensive investigation of electronic structure, phonon spectrum and thermoelectric performance of LuMSb ( M = Ni, Pd, Pt ) half Heusler compounds from first principles5Role of volume change on the physics of thermoelectric half-Heusler compounds9The Current State of Thermoelectric Technologies and Applications with Prospects0Structure and Thermoelectric Properties of Mg1–xTixNiSb Quaternary Half-Heusler Alloys8The A-Ni chemical bond in AIIINiSb (AIII=Sc, Y, Er) half-Heusler materials triggers the formation of anomalous vacancy defects4Analyzing the physical properties of Half-Heusler RNiSb (R = Sc, Y) for optoelectronic and thermoelectric applications based on first-principles theories19Semiconducting Heusler Compounds beyond the Slater-Pauling Rule11Transport and optical study of mechanically stable novel RNiSb (R= Tb, Dy, Tm) half-Heusler compounds for thermoelectric and optoelectronic applications3Mapping the configuration space of half-Heusler compounds via subspace identification for thermoelectric materials discovery4Revealing the significant role of band structure asymmetry on thermoelectric bipolar conduction16Ab initio study of MnScNbX (X = Al, Ga) quaternary Heusler alloys as promising thermoelectric materials2Evaluating the Energy Conversion Performance of Rare-Earth-Based Cu3RETe3 Thermoelectric Materials with Strong Electronic Correlations4Band gap engineering and physical properties of half heusler alloy ScNiSb: A DFT insights1Magnetic and electrical transport properties of the single-crystalline half-Heusler antiferromagnet DyNiSb1Tunable band-filling effects on thermoelectric properties and anomalous Hall conductivity in Weyl semimetal Co 3 Sn 2 S 20Continuous Alloying between Rocksalt and Half-Heusler Structures Drives Metal–Semiconductor Transition in ErNi x Sb0Collaborative regulation of thermoelectric properties of TiNiSn alloy via melt spinning and excess Ni0Defect-Calculation-Guided Performance Optimization of n-Type LuNiSb Half-Heusler Thermoelectrics2Unlocking Multi‐Valley Energy Pockets and Interface‐Induced Phonon Filtering in InSb Thermoelectrics by Reaction‐Driven Interface Engineering0Anomalous phonon transport and high thermoelectric performance in half-Heusler NdNiZ (Z = P, As, Sb)1Exceptional Rare‐Earth Half‐Heusler Thermoelectrics With Sublattice Softening1Achieving Densification and High Thermoelectric Performance in TiNiSn-Based Alloys with a MoO3 Sintering Aid0Synthesis and thermoelectric properties of rare-earth-based half-Heusler compounds with large enthalpy of formation0Magnetic and electrical transport properties of single-crystalline half-Heusler antimonide HoNiSb0

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  1. Advances in half-Heusler alloys for thermoelectric power generation

    Materials Advances · 2021-01-01

    Robert J. Quinn, Jan‐Willem G. Bos

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  2. Mobility Ratio as a Probe for Guiding Discovery of Thermoelectric Materials: The Case of Half-Heusler Phase ScNiSb1−xTex

    Physical Review Applied · 2021-04-28

    Kamil Ciesielski, Izabela Wolańska, Karol Synoradzki, Damian Szymański, D. Kaczorowski

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  3. Analyses of low-temperature transport and thermoelectric properties of polycrystalline undoped n-ZrNiSn

    AIP Advances · 2021-05-01

    Yasutomo Kajikawa

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  4. A Study of thermoelectric properties of Hf-doped RhTiP Half-Heusler alloy

    Materials Today Proceedings · 2021-06-09

    Shivam Tyagi, Shivani Arora, Mukhtiyar Singh

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  5. Role of R-f states on electronic structure and thermoelectric performance of RNiSb (R = Gd, Er and Lu) half Heusler compounds: narrow gap thermoelectric materials

    Applied Physics A · 2021-10-12

    Jagdish Kumar Satyam, Sapan Mohan Saini

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  6. Key properties of inorganic thermoelectric materials—tables (version 1)

    Journal of Physics Energy · 2022-01-10

    Robert Freer, Dursun Ekren, Tanmoy Ghosh, Kanishka Biswas, Pengfei Qiu, Shun Wan, Lidong Chen, Shen Han, Chenguang Fu, Tiejun Zhu, A. K. M. Ashiquzzaman Shawon, Alexandra Zevalkink, Kazuki Imasato, Gerald Jeffrey Snyder, Melis Özen, Kıvanç Sağlık, Umut Aydemir, Raúl Cardoso‐Gil, Eteri Svanidze, Ryoji Funahashi, Anthony V. Powell, Shriparna Mukherjee, Sahil Tippireddy, Paz Vaqueiro, Franck Gascoin, Theodora Kyratsi, Philipp Sauerschnig, Takao Mori

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  7. Narrow gap electronic structure and thermoelectric performance of p-type ErMSb (M = Ni, Pd) half Heusler compounds

    Physica B Condensed Matter · 2022-01-21

    Jagdish Kumar Satyam, Sapan Mohan Saini

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  8. Unsupervised machine learning for discovery of promising half-Heusler thermoelectric materials

    npj Computational Materials · 2022-03-04

    Xue Jia, Yanshuai Deng, Xin Ren Bao, Honghao Yao, Shan Li, Zhou Li, Chen Chen, Xinyu Wang, Jun Mao, Feng Cao, Jiehe Sui, Junwei Wu, Cuiping Wang, Qian Zhang, Xingjun Liu

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  9. Multi-band simultaneous fits of transport data on p-type ScNiSb with including impurity conduction

    International Journal of Modern Physics B · 2022-04-18

    Yasutomo Kajikawa

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  10. Discovery of YbNiSb-Based Half-Heusler Alloys as Promising Thermoelectric Materials

    ACS Applied Energy Materials · 2022-10-10

    Jiamian Huang, Rongtao Liu, Quanying Ma, Zuojian Jiang, Yibin Jiang, Yu Li, Chenyang Wang

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  11. Common Topological Features in Band Structure of RNiSb and RSb Compounds for R = Tb, Dy, Ho

    Materials · 2022-12-27

    Semyon T. Baidak, Alexey V. Lukoyanov

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  12. Simultaneous optimization of the electrical and thermal transport properties of LuNiSb via aliovalent doping

    Journal of Materials Chemistry A · 2023-01-01

    Miao Pu, Cheng Yang, Shen Han, Shengnan Dai, Airan Li, Lili Xi, Jiong Yang, Tiejun Zhu, Chenguang Fu

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  13. Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition

    Scientific Reports · 2023-01-28

    Kamil Ciesielski, Karol Synoradzki, Damian Szymański, Kazuki Tobita, Katarzyna Berent, Patryk Obstarczyk, Kaoru Kimura, D. Kaczorowski

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  14. Physical properties of the full Heusler-type Ru2-Fe NbAl (x = 0.00–0.50) alloys

    Journal of Alloys and Compounds · 2023-02-16

    Pallab Bag, Yan-Min Lin, Y. K. Kuo, Chia‐Nung Kuo, C. S. Lue

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  15. Strong Scattering from Low-Frequency Rattling Modes Results in Low Thermal Conductivity in Antimonide Clathrate Compounds

    Chemistry of Materials · 2023-03-22

    Kamil Ciesielski, Brenden R. Ortiz, Lídia C. Gomes, Vanessa Meschke, Jesse Adamczyk, Tara Braden, D. Kaczorowski, Elif Ertekin, Eric S. Toberer

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  16. On electrical transport and thermoelectric performance in Half-Heusler phase ScNiSb

    International Journal of Modern Physics B · 2023-03-30

    Kamil Ciesielski, D. Kaczorowski

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  17. Semimetallic, Half-Metallic, Semiconducting, and Metallic States in Gd-Sb Compounds

    International Journal of Molecular Sciences · 2023-05-15

    Semyon T. Baidak, Alexey V. Lukoyanov

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  18. 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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  19. ZrNiSn-based compounds with high thermoelectric performance and ultralow lattice thermal conductivity via introduction of multiscale scattering centers

    Journal of Materiomics · 2023-06-17

    Ruonan Min, Yanxia Wang, Xue Jiang, Rongchun Chen, Mingyang Li, Huijun Kang, Xiong Yang, Zongning Chen, Enyu Guo, Tongmin Wang

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  20. Optoelectronic and thermoelectronic properties of 3d, 4d, and 5d based semiconductor half-Heuslers (Ni/Pd/Pt)ScSb with narrow bandgap

    Computational Condensed Matter · 2023-07-01

    H.-E. M. Musa Saad, B. O. Alsobhi

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  21. Development of Thermoelectric Half-Heusler Alloys over the Past 25 Years

    Crystals · 2023-07-24

    Gerda Rogl, Peter Franz Rogl

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  22. Thermoelectric Performance of Ca2Si Synthesized by High-Temperature Melting

    Coatings · 2023-08-14

    Wenjie Tan, Jiarui Zhang, Fukun Ma, Min Jing, Ningning Xing

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  23. Comprehensive investigation of electronic structure, phonon spectrum and thermoelectric performance of LuMSb ( M = Ni, Pd, Pt ) half Heusler compounds from first principles

    Journal of Computational Chemistry · 2023-08-28

    Jagdish Kumar Satyam, Sapan Mohan Saini

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  24. Role of volume change on the physics of thermoelectric half-Heusler compounds

    Physical Review Materials · 2023-10-25

    M. Yazdani-Kachoei, Shaohan Li, Weiwei Sun, S. Mehdi Vaez Allaei, Igor Di Marco

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  25. The Current State of Thermoelectric Technologies and Applications with Prospects

    Unknown journal · 2023-12-08

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  26. Structure and Thermoelectric Properties of Mg1–xTixNiSb Quaternary Half-Heusler Alloys

    ACS Applied Energy Materials · 2024-03-04

    Xin Liu, Shaoqin Wang, Yi Chang, J. Liao, Zirui Dong, Jiye Zhang, Xinyue Zhang, Jun Luo

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  27. The A-Ni chemical bond in AIIINiSb (AIII=Sc, Y, Er) half-Heusler materials triggers the formation of anomalous vacancy defects

    Materials Today Physics · 2024-08-01

    Qiyong Chen, Lefei Ma, Jiong Yang, Lili Xi

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  28. Analyzing the physical properties of Half-Heusler RNiSb (R = Sc, Y) for optoelectronic and thermoelectric applications based on first-principles theories

    Physica Scripta · 2024-08-22

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  29. Semiconducting Heusler Compounds beyond the Slater-Pauling Rule

    PRX Energy · 2024-09-20

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  30. Transport and optical study of mechanically stable novel RNiSb (R= Tb, Dy, Tm) half-Heusler compounds for thermoelectric and optoelectronic applications

    Physica Scripta · 2024-12-02

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  31. Mapping the configuration space of half-Heusler compounds via subspace identification for thermoelectric materials discovery

    Journal of Materials Chemistry A · 2025-01-01

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  32. Revealing the significant role of band structure asymmetry on thermoelectric bipolar conduction

    Physical review. B./Physical review. B · 2025-01-31

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  33. Ab initio study of MnScNbX (X = Al, Ga) quaternary Heusler alloys as promising thermoelectric materials

    Journal of Applied Physics · 2025-08-22

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  34. Evaluating the Energy Conversion Performance of Rare-Earth-Based Cu3RETe3 Thermoelectric Materials with Strong Electronic Correlations

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  35. Band gap engineering and physical properties of half heusler alloy ScNiSb: A DFT insights

    Physica B Condensed Matter · 2025-11-06

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  36. Magnetic and electrical transport properties of the single-crystalline half-Heusler antiferromagnet DyNiSb

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  37. Tunable band-filling effects on thermoelectric properties and anomalous Hall conductivity in Weyl semimetal Co 3 Sn 2 S 2

    Physical Review Research · 2026-01-09

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  38. Continuous Alloying between Rocksalt and Half-Heusler Structures Drives Metal–Semiconductor Transition in ErNi x Sb

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  39. Collaborative regulation of thermoelectric properties of TiNiSn alloy via melt spinning and excess Ni

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  40. Defect-Calculation-Guided Performance Optimization of n-Type LuNiSb Half-Heusler Thermoelectrics

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  41. Unlocking Multi‐Valley Energy Pockets and Interface‐Induced Phonon Filtering in InSb Thermoelectrics by Reaction‐Driven Interface Engineering

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  42. Anomalous phonon transport and high thermoelectric performance in half-Heusler NdNiZ (Z = P, As, Sb)

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  43. Exceptional Rare‐Earth Half‐Heusler Thermoelectrics With Sublattice Softening

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  44. Achieving Densification and High Thermoelectric Performance in TiNiSn-Based Alloys with a MoO3 Sintering Aid

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  45. Synthesis and thermoelectric properties of rare-earth-based half-Heusler compounds with large enthalpy of formation

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  46. Magnetic and electrical transport properties of single-crystalline half-Heusler antimonide HoNiSb

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