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Published January 23, 2026 | Version v3
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Electron-phonon coupling in magnetic materials using the local spin density approximation

  • 1. European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, Chemin des Étoiles 8, B-1348 Louvain-la-Neuve, Belgium
  • 2. WEL Research Institute, avenue Pasteur 6, 1300 Wavre, Belgium.
  • 3. European Theoretical Spectroscopy Facility, Nanomat/Q-Mat Université de Liège (B5), B-4000 , Liège Belgium
  • 4. ITP Dept of Physics, University of Utrecht, 3508 TA Utecht, The Netherlands

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Description

Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, while also providing insight into fundamental quantum phenomena. In numerous applications, the interaction between electrons and lattice vibrations, known as electron-phonon coupling, can be of significant importance. In that regard, we extend the EPW package to be able to interpolate the electron-phonon matrix elements combining perturbation theory and maximally localized Wannier functions. This advance allows to use dense momentum grids at a reasonable computational cost when computing electron-phonon-related quantities and physical properties. We validate our implementation considering ferromagnetic iron and nickel where we explore the absence of phonon-driven superconductivity, finding that superconductivity is intrinsically suppressed. Furthermore, we evaluate the carrier resistivity at finite temperatures for both systems, considering the role of magnetism in carrier transport. Our findings indicate that in the case of Fe, the primary contributor to resistivity is electron-phonon scattering. In contrast, for Ni, electron-phonon scattering constitutes less than one-third of the resistivity, underscoring a fundamental difference in the transport properties of the two systems.

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References

Preprint (Preprint where data and methods are discussed)
A. A. Carrasco Alvarez, M. Giantomassi, J. Lihm, G. E. Allemand, M. Mignolet, M. Verstraete, S. Ponce, arXiv.2510.11350 (2025), doi: 10.48550/arXiv.2510.11350