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Phonons and Electron–Phonon Coupling of Newly Discovered ThCr 2 Si 2 -Type Superconductor BaPd 2 As 2 : A Comparison Study with Sr(Ca)Pd 2 As 2

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Abstract

The phonon dispersion and electron–phonon coupling properties of ThCr2Si2-type superconductor Ba(Sr,Ca)Pd2As2 are revealed for the first time using density functional theory and Eliashberg theory. Non-negative phonons indicate the dynamical stability of the compounds at ambient condition. The calculated superconducting transition temperature T c agrees well with experiments. Vibration of Pd and As atoms contributes predominantly to the electron–phonon coupling. T c is determined fatefully by phonon properties. The increase of T c from CaPd2As2 to BaPd2As2 is attributed to the significant boosting of electron–phonon coupling constant λ, while the decrease of T c from CaPd2As2 to SrPd2As2 is attributed to the decrease of logarithmically averaged frequency.

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Acknowledgments

This work is supported by the Scientific Research Fund of Guilin University of Aerospace Technology (Grant No. YJ1410). I would like to express my sincere gratitude to Yanfeng Ge in Beijing Institute of Technology for helpful discussions.

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  1. Faculty of Science, Guilin University of Aerospace Technology, Guilin, 541004, China

    Jianyong Chen

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  1. Jianyong Chen
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Chen, J. Phonons and Electron–Phonon Coupling of Newly Discovered ThCr 2 Si 2 -Type Superconductor BaPd 2 As 2 : A Comparison Study with Sr(Ca)Pd 2 As 2 . J Supercond Nov Magn 29, 1219–1225 (2016). https://doi.org/10.1007/s10948-016-3428-z

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  • DOI: https://doi.org/10.1007/s10948-016-3428-z

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