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RESEARCH PAPER · Journal of Physics Condensed Matter · 2020

Probing the martensite transition and thermoelectric properties of Co x Ta Z ( Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theory

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Probing the martensite transition and thermoelectric properties of Co x Ta Z ( Z = Si, Ge, Sn and x = 1, 2): a study based on density functional theoryOriginalEffect of substitution of 3d, 4d and 5d elements on structural, electronic, magnetic properties and XMCD spectra of Co-based full Heusler alloys: A DFT study3Cs2KMnCl6: A possible half-metallic double perovskite for spintronics16Unveiling the mechanical and dynamical stability to the contribution of transport properties of FeNbSb: A first principle approach6Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications10Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications0A DFT study on structure, electronic, magnetic and mechanical properties of full Heusler alloys Co2TaZ (Z = Si and Sn)7Ab-initio investigation of structural, electronic, thermoelectric and optical properties of Full-Heusler X2MnB (X = Ti, Zr) for energy harvesting applications8Materials Design Criteria for Ultrahigh Thermoelectric Power Factors in Metals29Data-driven approach for potential iron-based half-Heusler thermoelectrics with chemical bonding characteristics11Insight into Electronic, Magnetic, Mechanical, and Thermoelectric Properties of Full Heusler Alloys Co2XZ (X = Ti, Hf and Z = Si, Ge, Al)0

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  1. Effect of substitution of 3d, 4d and 5d elements on structural, electronic, magnetic properties and XMCD spectra of Co-based full Heusler alloys: A DFT study

    AIP Advances · 2023-02-01

    Rajeev Dutt, Aparna Chakrabarti

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  2. Cs2KMnCl6: A possible half-metallic double perovskite for spintronics

    Journal of Applied Physics · 2023-04-24

    Surbhi Ramawat, Sumit Kukreti, Abhijeet J. Kale, Rajeev Dutt, Aparna Chakrabarti, Ambesh Dixit

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  3. Unveiling the mechanical and dynamical stability to the contribution of transport properties of FeNbSb: A first principle approach

    Computational Condensed Matter · 2023-06-02

    Olukunle Charles Olawole, Bamidele Ibrahim Adetunji, Paul O. Adebambo, G.A. Adebayo

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  4. Ab initio investigation of Co–Ta–Sn Heusler alloys for thermoelectric applications

    Computational and Theoretical Chemistry · 2023-08-30

    Alan A.G. Santos, Pablo D. Borges

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  5. Design of Heusler alloys using Co-VB-Sn (VB = V, Nb, Ta) atoms within ab initio calculations for thermoelectric applications

    Unknown journal · 2023-11-07

    ALAN Antônio das Graças SANTOS

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  6. A DFT study on structure, electronic, magnetic and mechanical properties of full Heusler alloys Co2TaZ (Z = Si and Sn)

    Bulletin of Materials Science · 2023-11-16

    Archana Mishra, Anar Singh

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  7. Ab-initio investigation of structural, electronic, thermoelectric and optical properties of Full-Heusler X2MnB (X = Ti, Zr) for energy harvesting applications

    Inorganic Chemistry Communications · 2024-09-26

    Qiong Peng, Nazia Iram, Ramesh Sharma, Aman Kumar, Abdullah Saad Alsubaie, Javed Rehman

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  8. Materials Design Criteria for Ultrahigh Thermoelectric Power Factors in Metals

    PRX Energy · 2024-12-27

    Patrizio Graziosi, Kim-Isabelle Mehnert, Rajeev Dutt, Jan‐Willem G. Bos, Neophytos Neophytou

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  9. Data-driven approach for potential iron-based half-Heusler thermoelectrics with chemical bonding characteristics

    Science Advances · 2025-06-27

    Xue Nan, Kei Hayashi, Zhicheng Huang, Yuzuru Miyazaki

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  10. Insight into Electronic, Magnetic, Mechanical, and Thermoelectric Properties of Full Heusler Alloys Co2XZ (X = Ti, Hf and Z = Si, Ge, Al)

    Journal of Electronic Materials · 2025-08-23

    Archana Mishra, Vivek Yadav, Anar Singh

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