2026-07-05T19:25:14Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:f5n11-91c28 2026-01-23T13:53:08Z community-mcarchive openaire_data

Carrasco Álvarez, Álvaro Adrián Poncé, Samuel Carrasco Álvarez, Álvaro Adrián Giantomassi, Matteo Lihm, Jae-Mo E. Allemand, Gullaume Mignolet, Maxime Verstraete, Matthieu Poncé, Samuel 2026-01-23 <p><span dir="ltr">Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling appli</span><span dir="ltr">cations in data storage, spintronics, charge transport, and energy conversion, while also providing </span><span dir="ltr">insight into fundamental quantum phenomena. In numerous applications, the interaction between </span><span dir="ltr">electrons and lattice vibrations, known as electron-phonon coupling, can be of significant impor</span><span dir="ltr">tance. In that regard, we extend the</span> <span dir="ltr">EPW</span> <span dir="ltr">package to be able to interpolate the electron-phonon </span><span dir="ltr">matrix elements combining perturbation theory and maximally localized Wannier functions. This </span><span dir="ltr">advance allows to use dense momentum grids at a reasonable computational cost when comput</span><span dir="ltr">ing electron-phonon-related quantities and physical properties.</span> <span dir="ltr">We validate our implementation </span><span dir="ltr">considering ferromagnetic iron and nickel where we explore the absence of phonon-driven super</span><span dir="ltr">conductivity, finding that superconductivity is intrinsically suppressed. </span><span dir="ltr">Furthermore, we evaluate </span><span dir="ltr">the carrier resistivity at finite temperatures for both systems, considering the role of magnetism in </span><span dir="ltr">carrier transport. Our findings indicate that in the case of Fe, the primary contributor to resistivity </span><span dir="ltr">is electron-phonon scattering. In contrast, for Ni, electron-phonon scattering constitutes less than </span><span dir="ltr">one-third of the resistivity, underscoring a fundamental difference in the transport properties of the </span><span dir="ltr">two systems.</span></p> application/gzip text/plain https://doi.org/10.24435/materialscloud:qj-rt oai:materialscloud.org:f5n11-91c28 mcid:2026.24 eng Materials Cloud https://doi.org/10.48550/arXiv.2510.11350 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:9t-73 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode magnetism electron-phonon coupling Wannier functions Electron-phonon coupling in magnetic materials using the local spin density approximation info:eu-repo/semantics/other