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Chemical Potential Evaluation of Thermoelectric and Mechanical Properties of Zr2CoZ (Z = Si, Ge) Heusler Alloys

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Abstract

The electronic, mechanical and thermoelectric properties of Zr2CoZ (Z = Si, Ge) Heusler alloys are investigated by the full-potential linearized augmented plane wave method. Using the Voigt–Reuss approximation, we calculated the various elastic constants, the shear and Young’s moduli, and Poisson’s ratio which predict the ductile nature of the alloys. Thermoelectric coefficients viz., Seebeck, electrical conductivity and figure of merit show Zr2CoZ alloys as n-type thermoelectric materials showing a linearly increasing Seebeck coefficient with temperature mainly because of the existence of almost flat conduction bands along L to Г directions of a high symmetry Brillouin zone. The efficiency of conversion was measured as the figure of merit by taking into effect the lattice thermal part that achieves an upper-limit of 0.14 at 1200 K which may favour their use for waste heat recovery at higher temperatures.

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Authors and Affiliations

  1. Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, MP, 474 011, India

    Saleem Yousuf & Dinesh C. Gupta

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  1. Saleem Yousuf
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  2. Dinesh C. Gupta
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Correspondence to Dinesh C. Gupta.

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Yousuf, S., Gupta, D.C. Chemical Potential Evaluation of Thermoelectric and Mechanical Properties of Zr2CoZ (Z = Si, Ge) Heusler Alloys. J. Electron. Mater. 47, 2468–2478 (2018). https://doi.org/10.1007/s11664-017-6034-3

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