Phonons reflect dynamic spin-state order in LaCoO$_3$

DOI

We investigate lattice dynamics in LaCoO₃ using inelastic neutron and x-ray scattering over T = 2–650 K, spanning the spin-state crossover at T₁ ≈ 100 K and the insulator–metal transition at T₂ ≈ 550 K. Comparison with quasi-harmonic ab-initio lattice-dynamical calculations helps reveal anomalous softening of a ≈10-meV oxygen phonon, confined to the temperature interval T₁ ≤ T ≤ T₂ and localized in momentum space at qSSO = (½,½,½)c. This wave vector corresponds to the spin-state ordering originally proposed by Goodenough [J. Phys. Chem. Solids 6, 287-297 (1958)]. Our results therefore provide momentum-resolved evidence for dynamic correlations of high-spin and low-spin Co³⁺ states in LaCoO₃, linking spin-state fluctuations to anomalous phonon renormalization.

Data as published in Figures 1-5 of the corresponding manuscript.

Identifier
DOI https://doi.org/10.35097/xayn6n5pmcvdk776
Related Identifier IsIdenticalTo https://publikationen.bibliothek.kit.edu/1000189793
Metadata Access https://www.radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=datacite&identifier=10.35097/xayn6n5pmcvdk776
Provenance
Creator Weber, Frank ORCID logo; Heid, Rolf; Merz, Michael; Eich, Andreas; Tymoshenko, Yuliia; Merritt, Adrian M.
Publisher Karlsruhe Institute of Technology
Contributor RADAR
Publication Year 2026
Rights Open Access; Creative Commons Attribution Share Alike 4.0 International; info:eu-repo/semantics/openAccess; https://creativecommons.org/licenses/by-sa/4.0/legalcode
OpenAccess true
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Resource Type Dataset
Format application/x-tar
Size 260,6 kB
Discipline Natural Sciences; Physics