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RESEARCH PAPER · Physics Letters A · 2016

First-principles study the elastic constant, electronic structure and thermoelectric properties of Zr1−xHfxNiPb (x = 0, 0.25, 0.5, 0.75, 1)

Dongyang Wang, Guangtao Wang

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First-principles study the elastic constant, electronic structure and thermoelectric properties of Zr1−xHfxNiPb (x = 0, 0.25, 0.5, 0.75, 1)OriginalThermoelectric and piezoelectric properties of the predicted Al x In 1−x N composites based on ab initio calculations7Ab-initio calculations of elastic constants and thermodynamic properties of LuAuPb and YAuPb half-heusler compounds30Structural, electronic, mechanical, and thermoelectric properties of a novel half Heusler compound HfPtPb53Assessing the thermoelectric properties of ScRhTe half-heusler compound16Exploring the impact of hydrostatic pressure on the structural, electronic and mechanical properties of ZrNiPb half-Heusler alloy: A DFT approach4Electronical and thermoelectric properties of half‐Heusler ZrNiPb under pressure in bulk and nanosheet structures for energy conversion26Improved thermoelectric performance of p-doped half-Heusler Ti0.5Zr0.5CoSb0.5P0.5, Ti0.5Hf0.5CoSb0.5P0.5, and Zr0.5Hf0.5CoSb0.5P0.5 compounds5Material Descriptors for the Discovery of Efficient Thermoelectrics58Ultra-High Thermoelectric Power Factors in Narrow Gap Materials with Asymmetric Bands31Anharmonicity and ultralow thermal conductivity in layered oxychalcogenides BiAgOCh (Ch = S, Se, and Te)24Anisotropic elasticity drives negative thermal expansion in monocrystalline SnSe16High thermoelectric performance of half-Heusler Zr X Pb ( X = Ni, Pd, and Pt) compounds from first principle calculation20First-principles calculations to investigate Zr substitution enhanced thermoelectric performance of p-type ZrxHf1−xCoBi (x = 0,0.25,0.5,0.75,1) compounds17Computational prediction of high thermoelectric performance in MPtSn (M = Ti, Zr, and Hf) half-Heusler compounds by first-principle study12Effect of Hydrostatic Pressure on the Thermoelectric Properties of a p-type HfIrBi Compound0Effect of Zr Doping on Thermoelectric Properties of n-Type HfPtPb Compounds0Survey of Possible Thermoelectricity in a, B and y Phases of HINiPb Half-Heusler Compound by First Principle Approach.0

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  1. Thermoelectric and piezoelectric properties of the predicted Al x In 1−x N composites based on ab initio calculations

    Physical Chemistry Chemical Physics · 2017-01-01

    Yee Hui Robin Chang, Tiem Leong Yoon, Thong Leng Lim, Moi Hua Tuh, Eong Sheng Goh

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  2. Ab-initio calculations of elastic constants and thermodynamic properties of LuAuPb and YAuPb half-heusler compounds

    Journal of Alloys and Compounds · 2017-06-14

    Sukhwinder Singh, Rajesh Kumar

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  3. Structural, electronic, mechanical, and thermoelectric properties of a novel half Heusler compound HfPtPb

    Journal of Applied Physics · 2017-07-28

    Kulwinder Kaur, P. Raics, Ram Kumar Thapa, Sunita Srivastava

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  4. Assessing the thermoelectric properties of ScRhTe half-heusler compound

    Computational Condensed Matter · 2017-10-13

    Sukhwinder Singh

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  5. Exploring the impact of hydrostatic pressure on the structural, electronic and mechanical properties of ZrNiPb half-Heusler alloy: A DFT approach

    International Journal of Modern Physics B · 2018-07-27

    M. I. Babalola, Bamidele Ibrahim Adetunji, B. E. Iyorzor, Abu Yaya

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  6. Electronical and thermoelectric properties of half‐Heusler ZrNiPb under pressure in bulk and nanosheet structures for energy conversion

    Rare Metals · 2019-04-16

    H. A. Rahnamaye Aliabad, Zahra Nodehi, Behrooz Maleki, Azam Abareshi

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  7. Improved thermoelectric performance of p-doped half-Heusler Ti0.5Zr0.5CoSb0.5P0.5, Ti0.5Hf0.5CoSb0.5P0.5, and Zr0.5Hf0.5CoSb0.5P0.5 compounds

    Materials Research Express · 2019-11-12

    Congcong Li, Jia Li, Xiujuan Mao, Ze Liu, Xiuting Xu, Yang Liu, Sukai Teng, Fuxing Yin

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  8. Material Descriptors for the Discovery of Efficient Thermoelectrics

    ACS Applied Energy Materials · 2020-05-22

    Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou

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  9. Ultra-High Thermoelectric Power Factors in Narrow Gap Materials with Asymmetric Bands

    The Journal of Physical Chemistry C · 2020-07-31

    Patrizio Graziosi, Neophytos Neophytou

    Read original paper ↗ ·

  10. Anharmonicity and ultralow thermal conductivity in layered oxychalcogenides BiAgOCh (Ch = S, Se, and Te)

    Materials Advances · 2021-01-01

    Jingyu Li, Wenya Zhai, Chi Zhang, Yuli Yan, Pengfei Liu, Gui Yang

    Read original paper ↗ ·

  11. Anisotropic elasticity drives negative thermal expansion in monocrystalline SnSe

    Physical review. B./Physical review. B · 2021-02-15

    Ashoka Karunarathne, Prakash Parajuli, Gautam Priyadarshan, Sriparna Bhattacharya, Rahul S. Rao, Pai‐Chun Wei, Yang‐Yuan Chen, Joseph Rhea Gladden, Apparao M. Rao

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  12. High thermoelectric performance of half-Heusler Zr X Pb ( X = Ni, Pd, and Pt) compounds from first principle calculation

    Journal of Physics Condensed Matter · 2021-08-17

    Quanwei Jiang, Rundong Wan, Zhengfu Zhang, Ying Lei, Guocai Tian

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  13. First-principles calculations to investigate Zr substitution enhanced thermoelectric performance of p-type ZrxHf1−xCoBi (x = 0,0.25,0.5,0.75,1) compounds

    Physics Letters A · 2021-11-17

    Quanwei Jiang, Rundong Wan, Zhengfu Zhang, Ying Lei, Guocai Tian

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  14. Computational prediction of high thermoelectric performance in MPtSn (M = Ti, Zr, and Hf) half-Heusler compounds by first-principle study

    Solid State Sciences · 2022-03-16

    Xilin Xiong, Quanwei Jiang, Rundong Wan, Zhengfu Zhang, Ying Lei, Guocai Tian

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  15. Effect of Hydrostatic Pressure on the Thermoelectric Properties of a p-type HfIrBi Compound

    Journal of Electronic Materials · 2023-10-31

    Fanbin Hu, Rundong Wan, Zhengfu Zhang, Guocai Tian, Ying Lei

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  16. 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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  17. Survey of Possible Thermoelectricity in a, B and y Phases of HINiPb Half-Heusler Compound by First Principle Approach.

    Uniosun Journal of Engineering and Environmental Sciences · 2025-05-12

    Funmilayo Ayedun, G.T. Solola, Muyiwa Kehinde Bamgbose

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