Hydrogen Effect on Electron-Phonon Interactions in L10 FePd

Abstract

The effect of H position in L10FePd magnetic equiatomic layered structure on electron-phonon interactions is studied via ab initio pseudopotentials density functional approach in the general gradient approximation. The structures investigated are L10FePd (parent structure), and the specific hydrides 2(FePd)1H (H@Fe layer) and 2(FePd)2H (H@Pd layer). At ground state (0 K), electronic band structure results demonstrate the emergence of Fermi surfaces (FS) in topologies of small isolated multipockets in the hydrides. Using the harmonic approximation I find the phonon energy dispersion of parent and H@Fe simple and classical but for H@Pd complex. I linked this latter structure to its topology of FS, known as Kohn anomaly. Using McMillan-Eliashberg model, I get superconducting transition temperature (Tc) values ≈ 0.00 K, 3.48 K, and 19.75 K for the parent, H@Fe and H@Pd respectively. Therefore, these hypothetical hydrides prove that H position in the structure has a direct influence on Tc values and consequently the suppression of magnetism.

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Funding

This work was supported by the Algerian ministry of higher education and scientific research, CNEPRU program, under contract number B00L02UN2401 2015 0004

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Correspondence to Ahmed Boufelfel.

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Boufelfel, A. Hydrogen Effect on Electron-Phonon Interactions in L10 FePd. J Supercond Nov Magn 32, 3125–3133 (2019). https://doi.org/10.1007/s10948-019-5057-9

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Keywords

  • Superconductivity
  • Ferromagnetism
  • L10 FePd hydrides
  • Fermi surface
  • Phonons, Kohn anomaly