Journal Article

PUBDB-2026-01131

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png $UCd_{11}$: A strongly localized $5f^3$ material

Sundermann, M. (Corresponding author)Extern* ; Ito, N. ; Takegami, D.Extern* ; Chang, C.-F.Extern* ; Chen, S.-H.Extern*XFEL.EU* ; Kuo, C.-Y. ; Altendorf, S. G. ; Gloskovskii, A.DESY* ; Gretarsson, H.DESY* ; Bauer, E. D.Extern* ; Fujimori, S.-i. ; Kuneš, J. ; Tjeng, L. H.Extern* ; Severing, A. (Corresponding author)Extern* ; Hariki, A.Extern*

2026
APS College Park, MD

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Please use a persistent id in citations: doi:10.1103/bmn5-7539  doi:10.3204/PUBDB-2026-01131

Abstract: UCd$_{11}$ is an antiferromagnetic uranium intermetallic compound (𝑇N=5.3K) with enhanced electron mass and uranium-uranium spacings nearly twice the Hill limit, suggesting a weakly hybridized 5⁢𝑓 electronic character. Various x-ray spectroscopy techniques indicate that uranium in UCd$_{11}$ adopts the formal U$^{3+}$5⁢𝑓$^3$ configuration, while core-level photoemission spectroscopy (PES) data of UCd$_{11}$ reveal only a weak satellite feature, typically interpreted as a signature of itinerancy. In this work, we present density functional theory (DFT) combined with dynamical mean-field theory (DMFT) calculations of UCd$_{11}$, using material-specific parameters tuned to reproduce valence-band PES spectra at different photon energies, thereby exploiting the energy dependence of photoionization cross sections. Our results demonstrate that UCd$_{11}$ is a highly localized uranium 5⁢𝑓$^3$ system. Furthermore, core-level spectra obtained from a DFT+DMFT Anderson impurity model reveal that, contrary to common assumptions, the presence or absence of satellite structures is not a reliable indicator of strong correlations or itinerant 5⁢𝑓 behavior.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. PETRA-S (FS-PETRA-S)

Research Program(s):

1. 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) (POF4-632)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. DFG project G:(GEPRIS)387555779 - Von versteckter bis antiferromagnetischer Ordnung mit großem Moment in URu2Si2: eine Röntgenstrahluntersuchung der 5f Besetzung und Wellenfunktionssymmetrie. (387555779) (387555779)
4. DFG project G:(GEPRIS)567326535 - Ferromagnetische Uranbasierte Supraleiter: formale 5f Konfiguration und Grad der Covalence. (567326535) (567326535)

Experiment(s):

1. PETRA Beamline P01 (PETRA III)
2. PETRA Beamline P22 (PETRA III)

Appears in the scientific report 2026

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Database coverage:
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