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Superconductivity of Ta34Nb33Hf8Zr14Ti11 high entropy alloy from first principles calculations

The Korringa-Kohn-Rostoker method with the coherent potental approximation (KKR-CPA) is applied to study the first superconducting high entropy alloy (HEA) Ta34Nb33Hf8Zr14Ti11 (discovered in 2014 with Tc = 7.3 K), focusing on estimations of the electron-phonon coupling constant λ. Electronic part of λhas been calculated using the rigid muffin-tin approximation (RMTA), while the phonon part has been approximated using average atomic mass and experimental Debye temperature. The estimated λ= 1.16 is close to the value determined from specific heat measurements, λ= 0.98, and suggests rather strong electron-phonon coupling in this material.

preprint2016arXivOpen access
K. JasiewiczB. WiendlochaP. KorbeńS. KaprzykJ. Tobola
cond-mat.supr-concond-mat.mtrl-sci
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K. JasiewiczB. WiendlochaP. KorbeńS. KaprzykJ. Tobola

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