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RESEARCH PAPER · Journal of Alloys and Compounds · 2017

Exploration of thermoelectricity in ScRhTe and ZrPtPb Half Heusler compounds: A first principle study

Kulwinder Kaur, Jaswinder Kaur

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Exploration of thermoelectricity in ScRhTe and ZrPtPb Half Heusler compounds: A first principle studyOriginalThe electronic and thermoelectric properties of a d2/d0type tetragonal half-Heusler compound, HfSiSb: a FP-LAPW method7First-principles investigation of structural, mechanical, electronic, and thermoelectric properties of Half-Heusler compounds RuVX (X=As, P, and Sb)55Transport properties of RuV-based half-Heusler semiconductors for thermoelectric applications: a computational study10Structural, electronic and thermoelectric properties of topological semimetal lanthanum monopnicitide LaBi7Investigation on Electronic and Thermoelectric Properties of (P, As, Sb) Doped ZrCoBi2Quaternary Heusler compound LiYNiSn: A search of new thermoelectric material by DFT study18The electronic, half-metallic, elastic, and magnetic properties of new PtWZ (Z = In, Tl, Sn, and Pb) half-Heusler alloys via GGA and GGA+mBJ methods9Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration30First-principles calculations on the electronic structure and thermoelectric properties of quaternary Heusler compounds: LiScPtSi and LiScPdGe22First principles calculations to investigate Li-based quaternary Heusler compounds LiHfCoX (X = Ge, Sn) for thermoelectric applications30First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure6Electronic structure, phonon stability, mechanical and high-temperature thermoelectric properties of Li-based quaternary Heusler alloys17LiNbCoX (X = Al, Ga) quaternary Heusler compounds for high-temperature thermoelectric properties: a computational approach31Exploring the electronic structure, mechanical behaviour, thermal and high-temperature thermoelectric response of CoZrSi and CoZrGe Heusler alloys42Thermoelectric Properties of Line‐Node Dirac Semimetal and Topological Insulating Phase in Hexagonal Pnictide CaAgAs1Structural stability and high-temperature thermoelectric performance of LiYPdSn quaternary heusler compound8Effect of Zr Doping on Thermoelectric Properties of n-Type HfPtPb Compounds0An Ab-Initio Study of LiTaRhX (X=Al,Ga) for high-temperature thermoelectric applications with enriched material properties1Ab Initio Study of Novel Quaternary Heusler LiTiRhZ (Z = Si, Ge, Sn) Compounds for Thermoelectric Application1Seebeck coefficient, figure of merit, power factor, and electronic fitness function as vital tools for assessing thermoelectric behaviour of MnNip compound by first principle approach0Comparative Study of Optoelectronic and Thermoelectric Performance of Quaternary Heusler LiHfRhZ (Z = Si, Ge) Alloys for Energy Harvesting Applications0Structural, Electronic, and Thermoelectric of Half-Heusler Alloys XHfSb (X = Co and Rh) Using First Principles Calculations0First-principles study of mechanical, half-metallicity, magnetic and optical properties of MCrPb (M = Hf, Zr) half-Heusler compounds3An Ab-Initio study of LiTaRhX (X = Al,Ga) for high-temperature thermoelectric applications with enriched material properties0

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  1. The electronic and thermoelectric properties of a d2/d0type tetragonal half-Heusler compound, HfSiSb: a FP-LAPW method

    Materials Research Express · 2017-10-24

    Himanshu Joshi, P. Raics, E. Deligöz, H B Ozisik, Ram Kumar Thapa

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  2. First-principles investigation of structural, mechanical, electronic, and thermoelectric properties of Half-Heusler compounds RuVX (X=As, P, and Sb)

    Computational Condensed Matter · 2018-06-06

    S. Chibani, Omar Arbouche, Mostefa Zemouli, Yassine Benallou, Kadda Amara, Nadir Chami, M. Ameri, Mohammed Elkeurti

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  3. Transport properties of RuV-based half-Heusler semiconductors for thermoelectric applications: a computational study

    Journal of Physics Condensed Matter · 2020-05-27

    Enamullah Enamullah, Sunil Kumar Sharma, Sameh S. Ahmed

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  4. Structural, electronic and thermoelectric properties of topological semimetal lanthanum monopnicitide LaBi

    Physics Letters A · 2020-08-10

    Nisha, Hardev S. Saini, Narender Kumar, Satyender Singhmar, Jyoti Thakur, Sunita Srivastava, Manish K. Kashyap, A.H. Reshak

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  5. Investigation on Electronic and Thermoelectric Properties of (P, As, Sb) Doped ZrCoBi

    East European Journal of Physics · 2021-01-01

    Djelti Radouan, Besbes Anissa, Benaouda Bestanı

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  6. Quaternary Heusler compound LiYNiSn: A search of new thermoelectric material by DFT study

    AIP conference proceedings · 2021-01-01

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

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  7. The electronic, half-metallic, elastic, and magnetic properties of new PtWZ (Z = In, Tl, Sn, and Pb) half-Heusler alloys via GGA and GGA+mBJ methods

    Physica Scripta · 2021-12-01

    Evren Görkem Özdemir, Semih Doğruer

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  8. Machine learning for accelerated prediction of the Seebeck coefficient at arbitrary carrier concentration

    Materials Today Physics · 2022-05-06

    Hongmei Yuan, Shulin Han, Rui Hu, Wen-Na Jiao, Mengke Li, Huijun Liu, Ying Fang

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  9. First-principles calculations on the electronic structure and thermoelectric properties of quaternary Heusler compounds: LiScPtSi and LiScPdGe

    Materials Today Communications · 2022-07-08

    Jaspal Singh, Kulwinder Kaur, Muzzammil Ahmad Bhat, Utkirjon Sharopov, Shobhna Dhiman, Megha Goyal, Suram Singh Verma, Shakeel Ahmad Khandy

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  10. First principles calculations to investigate Li-based quaternary Heusler compounds LiHfCoX (X = Ge, Sn) for thermoelectric applications

    Physica Scripta · 2022-08-24

    Tavneet Kaur, Jaspal Singh, Megha Goyal, Kulwinder Kaur, Shakeel Ahmad Khandy, Muzzammil Ahmad Bhat, Utkirjon Sharopov, Shobhna Dhiman, Aadil Fayaz Wani, Bindu Rani, Murari Mohan Sinha, Suram Singh Verma

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  11. First-Principles Investigation of Structural, Thermoelectric, and Optical Properties of Half-Heusler Compound ScRhTe under Varied Pressure

    Crystals · 2022-10-17

    Junhong Wei, Yongliang Guo, Guangtao Wang

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  12. Electronic structure, phonon stability, mechanical and high-temperature thermoelectric properties of Li-based quaternary Heusler alloys

    Current Applied Physics · 2023-04-13

    Jaspal Singh, Kulwinder Kaur, Ishtihadah Islam, Jan Mohammad Mir, Megha Goyal, Tavneet Kaur, Suram Singh Verma, Atif Mossad Ali, Shakeel Ahmad Khandy

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  13. LiNbCoX (X = Al, Ga) quaternary Heusler compounds for high-temperature thermoelectric properties: a computational approach

    Bulletin of Materials Science · 2023-05-19

    Jaspal Singh, Tavneet Kaur, Amrit Pal Singh, Megha Goyal, Kulwinder Kaur, Shakeel Ahmad Khandy, Ishtihadah Islam, Aadil Fayaz Wani, Ram Krishan, Murari Mohan Sinha, Suram Singh Verma

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  14. Exploring the electronic structure, mechanical behaviour, thermal and high-temperature thermoelectric response of CoZrSi and CoZrGe Heusler alloys

    Scientific Reports · 2023-12-21

    Bharti Gurunani, Dinesh C. Gupta

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  15. Thermoelectric Properties of Line‐Node Dirac Semimetal and Topological Insulating Phase in Hexagonal Pnictide CaAgAs

    physica status solidi (b) · 2024-06-25

    Narender Kumar, Nisha Sheoran, Hardev S. Saini

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  16. Structural stability and high-temperature thermoelectric performance of LiYPdSn quaternary heusler compound

    Solid State Communications · 2024-11-30

    Jaspal Singh, Kulwinder Kaur, Megha Goyal, Yuhit Gupta, Aadil Fayaz Wani, Tavneet Kaur

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  17. Effect of Zr Doping on Thermoelectric Properties of n-Type HfPtPb Compounds

    Journal of Electronic Materials · 2025-02-09

    Hao Wei, Rundong Wan, Zhengfu Zhang, Fanbin Hu, Guocai Tian, Huilong Luo

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  18. An Ab-Initio Study of LiTaRhX (X=Al,Ga) for high-temperature thermoelectric applications with enriched material properties

    Research Square · 2025-05-14

    Jaspal Singh, Tavneet Kaur, Kulwinder Kaur, Megha Goyal, Amrit Pal Singh

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  19. Ab Initio Study of Novel Quaternary Heusler LiTiRhZ (Z = Si, Ge, Sn) Compounds for Thermoelectric Application

    International Journal of Quantum Chemistry · 2025-06-07

    Bhoopendra Kumar Dewangan, Lokanksha Suktel, Sapan Mohan Saini

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  20. Seebeck coefficient, figure of merit, power factor, and electronic fitness function as vital tools for assessing thermoelectric behaviour of MnNip compound by first principle approach

    World Journal of Applied Science & Technology · 2025-06-17

    E. Ayedun

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  21. Comparative Study of Optoelectronic and Thermoelectric Performance of Quaternary Heusler LiHfRhZ (Z = Si, Ge) Alloys for Energy Harvesting Applications

    physica status solidi (b) · 2025-07-17

    Bhoopendra Kumar Dewangan, Sapan Mohan Saini

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  22. Structural, Electronic, and Thermoelectric of Half-Heusler Alloys XHfSb (X = Co and Rh) Using First Principles Calculations

    Physics of the Solid State · 2026-02-01

    K. D. Ajayi, Paul O. Adebambo, J. O. Akinlami, Israel Oluwatobi Olowookere, M. O. Omeike

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  23. First-principles study of mechanical, half-metallicity, magnetic and optical properties of MCrPb (M = Hf, Zr) half-Heusler compounds

    Bulletin of Materials Science · 2026-02-12

    Salma Zahan, Kanij Fatima, M H R Khan, Mohammad Abdur Rashid

    Read original paper ↗ ·

  24. An Ab-Initio study of LiTaRhX (X = Al,Ga) for high-temperature thermoelectric applications with enriched material properties

    The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2026-05-08

    Jaspal Singh, Tavneet Kaur, Kulwinder Kaur, Megha Goyal, Amrit Pal Singh

    Read original paper ↗ ·
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