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RESEARCH PAPER · Journal of Physics and Chemistry of Solids · 2017

On the possibility of thermoelectricity in half Heusler XRuSb (X = V, Nb, Ta) materials: A first principles prospective

Kulwinder Kaur, Ranjan Kumar

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On the possibility of thermoelectricity in half Heusler XRuSb (X = V, Nb, Ta) materials: A first principles prospectiveOriginalThermoelectric transport trends in group 4 half-Heusler alloys22Thermoelectric transport trends in group 4 half-Heusler alloys28Thermoelectric Transport Parameters of p‐Type RuVAs and RuNbAs Heusler Alloys11Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations60Effect of Bi-substitution on Structural Stability and Improved Thermoelectric Performance of p-type Half-Heusler TaSbRu: A First-principles Study9Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy14Traditional thermoelectric materials and challenges3Effect of spin-orbital coupling on the electronic, mechanical, thermoelectric, and vibrational properties of XPtBi (X = Sc and Y): A first-principles study32Structural, electronic, mechanical, and thermoelectric properties of LiTiCoX (X = Si, Ge) compounds37Study of lattice dynamic, electronic and mechanical properties of Half-Heusler RuCrP alloy7Investigation of mechanical, thermodynamical, dynamical and electronic properties of RuYAs (Y = Cr and Fe) alloys5Pursuit of stability, electronic and thermoelectric properties of novel PdVGa half heusler compound21DFT study of structural, mechanical, thermodynamic, electronic, and thermoelectric properties of new PdTi Z (Z = Ge and Pb) half Heusler compounds15Electronic Structure-, Phonon Spectrum-, and Effective Mass- Related Thermoelectric Properties of PdXSn (X = Zr, Hf) Half Heuslers36An ab initio study of novel quaternary Heusler alloys for spin polarized and waste heat recycling systems18Electronic, Elastic, and Thermoelectric Properties of Bulk CdX (X = S, Se, and Te) Binary Semiconductors from First‐Principles Approaches5Thermoelectric performance of PdTiSn half Heusler compound facilitated by structural and dynamical stability: A first principle study7Electronic structure, elastic and transport properties of new Palladium-based Half-Heusler materials for thermoelectric applications15High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications6Machine Learning-Based Predictions for Half-Heusler Phases11Machine Learning-Based Predictions of Power Factor for Half-Heusler Phases5Structural, Mechanical, and Thermoelectric Properties of Quaternary Heusler Compounds CuCoZrZ (Z = Sn, Pb): A First‐Principles Investigation2Enhanced optoelectronic and thermoelectric properties of half Heusler compounds KXSb (X = Be, Mg, Ca and Sr): A first principle study12Exploring the electronic, magnetic and thermoelectric properties of TbPtBi half-Heusler: DFT study3Effect of Pressure on Thermoelectric Performance of Half Heusler Compounds3Effect of strain on the stability, electronic structure and thermoelectric characteristics of (PdXSn, X = Zr, Hf) half-Heusler compounds: a first-principles study5First-principle investigation of optoelectronic and thermoelectric properties in XYGe (X = Li, K) half-Heusler compounds at different exchange correlation functional1HfP 2 monolayer: A material with low lattice thermal conductivity and excellent thermoelectric performance1Unveiling the Thermoelectric Properties of Some Bismuth Based Half Heuslers: A First‐Principles Perspective2Unveiling the structural, vibrational, elastic, optoelectronic and thermoelectric characteristics of alkali-yttrium based half-Heusler alloys XYC (X = K, Rb, Cs)0Investigating Optoelectronic and Thermoelectric properties of based Platinum semiconductor half-Heusler’s Ta (Tl/In/Ga) Pt0First‐Principles Analysis of the Structural, Mechanical, Electronic, and Thermoelectric Behavior of XOsBi (X=$X=$ Nb, Ta, V) Half‐Heusler Compounds2Scandium-based comprehensive study of new ScTiRuAl quaternary Heusler alloy: insights into solar and thermoelectric energy applications0First-principles insights into LiZrPtZ (Z = Al, Ga) quaternary Heusler semiconductors for high-temperature thermoelectric applications0First Principles Investigations on Ruthenium‐Based Semiconductors Heusler Alloys XRuTe (X = Ti, Zr, Hf) for Thermoelectric Applications0

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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. 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

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  3. Thermoelectric Transport Parameters of p‐Type RuVAs and RuNbAs Heusler Alloys

    physica status solidi (b) · 2020-07-22

    Fatiha Cherifi, Zohra Mostefa, AbdelAziz Boukra, Zahira Faïza Meghoufel, Miloud Bouattou, F. Kadi Allah, F. Terki

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  4. Structural, electronic, magnetic and thermoelectric properties of Full-Heusler Fe2MnSi: Ab initio calculations

    Results in Physics · 2020-07-29

    Y. El Krimi, Rachid Masrour, A. Jabar, Salima Labidi, M. Bououdina, M. Ellouze

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  5. Effect of Bi-substitution on Structural Stability and Improved Thermoelectric Performance of p-type Half-Heusler TaSbRu: A First-principles Study

    arXiv (Cornell University) · 2020-08-28

    Enamul Haque, Mostafizur Rahman, Sultana, Parvin

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  6. Exploring the electronic fitness function, effective mass, elastic and transport properties of RhTiP Half-Heusler alloy

    Materials Science and Engineering B · 2020-12-11

    Muyiwa Kehinde Bamgbose, Paul O. Adebambo, G.T. Solola, G.A. Adebayo

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  7. Traditional thermoelectric materials and challenges

    Elsevier eBooks · 2021-01-01

    Kulwinder Kaur, Enamullah Enamullah, Shakeel Ahmad Khandy, Jaspal Singh, Shobhna Dhiman

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  8. Effect of spin-orbital coupling on the electronic, mechanical, thermoelectric, and vibrational properties of XPtBi (X = Sc and Y): A first-principles study

    Journal of Physics and Chemistry of Solids · 2021-02-27

    Megha Goyal, Murari Mohan Sinha

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  9. Structural, electronic, mechanical, and thermoelectric properties of LiTiCoX (X = Si, Ge) compounds

    International Journal of Energy Research · 2021-05-20

    Jaspal Singh, Kulwinder Kaur, Shakeel Ahmad Khandy, Shobhna Dhiman, Megha Goyal, Suram Singh Verma

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  10. Study of lattice dynamic, electronic and mechanical properties of Half-Heusler RuCrP alloy

    Materials Today Communications · 2021-09-20

    Dipangkar Kalita, Nihal Limbu, Mahesh Ram, Raju Kalita, Atul Saxena

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  11. Investigation of mechanical, thermodynamical, dynamical and electronic properties of RuYAs (Y = Cr and Fe) alloys

    Journal of Physics Condensed Matter · 2021-11-19

    Dipangkar Kalita, Mahesh Ram, Nihal Limbu, Atul Saxena

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  12. Pursuit of stability, electronic and thermoelectric properties of novel PdVGa half heusler compound

    Solid State Communications · 2022-04-21

    Bindu Rani, Aadil Fayaz Wani, Shakeel Ahmad Khandy, Utkirjon Sharopov, Lokanath Patra, Kulwinder Kaur, Shobhna Dhiman

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  13. DFT study of structural, mechanical, thermodynamic, electronic, and thermoelectric properties of new PdTi Z (Z = Ge and Pb) half Heusler compounds

    International Journal of Quantum Chemistry · 2022-06-01

    Dipangkar Kalita, Nihal Limbu, Mahesh Ram, Atul Saxena

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  14. 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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  15. An ab initio study of novel quaternary Heusler alloys for spin polarized and waste heat recycling systems

    Journal of Magnetism and Magnetic Materials · 2023-02-22

    Sudharsan Balasubramanian, Shobana Priyanka D, M. Srinivasan, Ramasamy Perumalsamy

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  16. Electronic, Elastic, and Thermoelectric Properties of Bulk CdX (X = S, Se, and Te) Binary Semiconductors from First‐Principles Approaches

    physica status solidi (b) · 2023-05-04

    G. S. AlGhamdi, Anuradha Saini, Ranjan Kumar

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  17. Thermoelectric performance of PdTiSn half Heusler compound facilitated by structural and dynamical stability: A first principle study

    Materials Today Proceedings · 2023-06-01

    Bindu Rani, Aadil Fayaz Wani, Kulwinder Kaur, Shobhna Dhiman

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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. High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications

    Crystals · 2023-09-17

    Kaja Bilińska, Maciej J. Winiarski

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  20. Machine Learning-Based Predictions for Half-Heusler Phases

    Inorganics · 2023-12-22

    Kaja Bilińska, Maciej J. Winiarski

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  21. Machine Learning-Based Predictions of Power Factor for Half-Heusler Phases

    Crystals · 2024-04-09

    Kaja Bilińska, Maciej J. Winiarski

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  22. Structural, Mechanical, and Thermoelectric Properties of Quaternary Heusler Compounds CuCoZrZ (Z = Sn, Pb): A First‐Principles Investigation

    physica status solidi (b) · 2024-09-03

    Tingting Lin, Qiang Gao, Jun Zhong, Suye Yu, Guodong Liu

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  23. Enhanced optoelectronic and thermoelectric properties of half Heusler compounds KXSb (X = Be, Mg, Ca and Sr): A first principle study

    Journal of Physics and Chemistry of Solids · 2024-09-18

    Prakash Chand, Dinesh Kumar, Lalit Mohan

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  24. Exploring the electronic, magnetic and thermoelectric properties of TbPtBi half-Heusler: DFT study

    Modelling and Simulation in Materials Science and Engineering · 2024-09-24

    Pratik D. Patel

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  25. Effect of Pressure on Thermoelectric Performance of Half Heusler Compounds

    Inorganic Chemistry Communications · 2024-09-26

    Bindu Rani, Shakeel Ahmad Khandy, Marutheeswaran Srinivasan, Atif Mossad Ali, Shobhna Dhiman, Kulwinder Kaur

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  26. Effect of strain on the stability, electronic structure and thermoelectric characteristics of (PdXSn, X = Zr, Hf) half-Heusler compounds: a first-principles study

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    Bindu Rani, Kulwinder Kaur, Shobhna Dhiman, Marutheeswaran Srinivasan, Shakeel Ahmad Khandy

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

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  28. HfP 2 monolayer: A material with low lattice thermal conductivity and excellent thermoelectric performance

    Physica B Condensed Matter · 2025-05-17

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  29. Unveiling the Thermoelectric Properties of Some Bismuth Based Half Heuslers: A First‐Principles Perspective

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  30. Unveiling the structural, vibrational, elastic, optoelectronic and thermoelectric characteristics of alkali-yttrium based half-Heusler alloys XYC (X = K, Rb, Cs)

    Indian Journal of Physics · 2026-02-03

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  31. Investigating Optoelectronic and Thermoelectric properties of based Platinum semiconductor half-Heusler’s Ta (Tl/In/Ga) Pt

    Physica B Condensed Matter · 2026-03-17

    Amina Benzina, Lakhdar Benahmedi, Abdel-Djawad Zebentout, Samia Bentaieb, Abdelhadi Lachebi, Hamza Encadreur Abid

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  32. First‐Principles Analysis of the Structural, Mechanical, Electronic, and Thermoelectric Behavior of XOsBi (X=$X=$ Nb, Ta, V) Half‐Heusler Compounds

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  33. Scandium-based comprehensive study of new ScTiRuAl quaternary Heusler alloy: insights into solar and thermoelectric energy applications

    Indian Journal of Physics · 2026-04-06

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  34. First-principles insights into LiZrPtZ (Z = Al, Ga) quaternary Heusler semiconductors for high-temperature thermoelectric applications

    Indian Journal of Physics · 2026-07-11

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  35. First Principles Investigations on Ruthenium‐Based Semiconductors Heusler Alloys XRuTe (X = Ti, Zr, Hf) for Thermoelectric Applications

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