Impact of electronic correlations on the superconductivity of high-pressure CeH9

DOI

<p>Rare-earth superhydrides have attracted considerable attention because of their high critical superconducting temperature under extreme pressures. They are known to have localized valence electrons, implying strong electronic correlations. However, such many-body effects are rarely included in first-principles studies of rare-earth superhydrides because of the complexity of their high-pressure phases. In this work, we use a combined density functional theory and dynamical mean-field theory approach to study both electrons and phonons in the prototypical rare-earth superhydride CeH9, shedding light on the impact of electronic correlations on its critical temperature for phonon-mediated superconductivity. Our findings indicate that electronic correlations result in a larger electronic density at the Fermi level, a bigger superconducting gap, and softer vibrational modes associated with hydrogen atoms. Together, the inclusion of these correlation signatures increases the Migdal-Eliashberg superconducting critical temperature from 47 K to 96 K, close to the measured 95 K. Our results reconcile experimental observations and theoretical predictions for CeH9 and herald a path towards the quantitative modeling of phonon-mediated superconductivity for interacting electron systems.</p>

Identifier
DOI https://doi.org/10.24435/materialscloud:hw-nk
Related Identifier https://doi.org/10.48550/arXiv.2507.12506
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:d1-c7
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:qr79e-7h522
Provenance
Creator Chen, Siyu; Wei, Yao; Monserrat, Bartomeu; Tomczak, Jan M.; Poncé, Samuel
Publisher Materials Cloud
Contributor Chen, Siyu; Tomczak, Jan M.; Poncé, Samuel
Publication Year 2025
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format text/plain; application/x-tar
Discipline Materials Science and Engineering