Flat-band hybridization between f and d states near the Fermi energy of SmCoIn₅

DOI

We present high-quality angle-resolved photoemission (ARPES) and density functional theory calculations (DFT+U) of SmCoIn₅. We find broad agreement with previously published studies of LaCoIn₅ and CeCoIn₅, confirming that the Sm 4f electrons are mostly localized. Nevertheless, our model is consistent with an additional delocalized Sm component, stemming from hybridization between the 4f electrons and the metallic bands at "hot spot" positions in the Brillouin zone. The dominant hot spot, called γz, is similar to a source of delocalized f states found in previous experimental and theoretical studies of CeCoIn₅. In this work, we identify and focus on the role of geometric frustration in exploring the relationship between heavy quasiparticles and the magnetically ordered ground state of SmCoIn₅. Specifically, we find a globally flat band consisting of Co 3d<sub>xy</sub>/3d<sub>z2</sub> orbital states near E = −0.7 eV, indicating a general role for geometric frustration in the "115" family of materials. We also show that the delocalized Sm 4f states can hybridize directly with the Co 3d<sub>xz</sub>/3d<sub>yz</sub> orbitals, which occurs in our model at the Brillouin zone boundary point R in a band that is locally flat and touches the Fermi level from above. Our work identifies microscopic ingredients for additional magnetic interactions in the "115" materials beyond the RKKY mechanism, and strongly suggests that the Co d bands are an important ingredient in the formation of both magnetic and superconducting ground states.

Identifier
DOI https://doi.org/10.24435/materialscloud:zc-45
Related Identifier https://doi.org/10.1038/s41535-024-00632-8
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:x4-85
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:2030
Provenance
Creator Tam, David W.; Colonna, Nicola; Alarab, Fatima; Strocov, Vladimir; Gawryluk, Dariusz Jakub; Pomjakushina, Ekaterina; Kenzelmann, Michel
Publisher Materials Cloud
Contributor Colonna, Nicola
Publication Year 2023
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 application/gzip; text/markdown; text/plain
Discipline Materials Science and Engineering