2026-06-28T16:20:45Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:2515 2025-03-19T17:05:45Z openaire_data community-mcarchive

Lihm, Jae-Mo Poncé, Samuel Lihm, Jae-Mo Poncé, Samuel 2025-03-19 This file contains all the data, as well as the code necessary to reproduce the results of Jae-Mo Lihm and Samuel Ponce, "Non-perturbative self-consistent electron-phonon spectral functions and transport." Electron-phonon coupling often dominates the electron spectral functions and transport properties. However, studies of this effect in real materials have largely relied on perturbative one-shot methods due to the lack of a first-principles theoretical and computational framework. Here, we present a self-consistent theory and implementation for the non-perturbative calculations of spectral functions and conductivity due to electron-phonon coupling. Applying this method to monolayer InSe, we demonstrate that self-consistency qualitatively affects the spectral function and transport properties compared to state-of-the-art one-shot calculations and allow one to reconcile experimental angle-resolved photoemission experiments. The developed method can be widely applied to materials with dominant electron-phonon coupling at moderate computational cost. text/markdown application/x-tar application/x-tar text/plain https://doi.org/10.24435/materialscloud:k1-rt oai:materialscloud.org:2515 mcid:2025.45 eng Materials Cloud https://doi.org/10.48550/arXiv.2501.00468 https://doi.org/10.1103/PhysRevLett.134.186401 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:y8-63 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode electron-phonon coupling Wannier functions transport electronic structure Non-perturbative self-consistent electron-phonon spectral functions and transport info:eu-repo/semantics/other