Hydrogen Effect on Electron-Phonon Interactions in L10 FePd

  • Ahmed BoufelfelEmail author
Original Paper


The effect of H position in L10 FePd 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 L10 FePd (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.


Superconductivity Ferromagnetism L10 FePd hydrides Fermi surface Phonons, Kohn anomaly 


Funding Information

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

Supplementary material

10948_2019_5057_MOESM1_ESM.docx (1.5 mb)
ESM 1 (DOCX 1568 kb)


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Authors and Affiliations

  1. 1.Laboratoire de PhysiqueUniversité du 08 mai 45GuelmaAlgeria

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