English

UCd$_{11}$: A strongly localized 5$f^3$ material

Strongly Correlated Electrons 2026-04-21 v1 Materials Science

Abstract

UCd11_{11} is an antiferromagnetic uranium intermetallic compound (TNT_{\rm N} = 5.3K) with enhanced electron mass and uranium-uranium spacings nearly twice the Hill limit, suggesting a weakly hybridized 5ff electronic character. Various x-ray spectroscopy techniques indicate that uranium in UCd11_{11} adopts the formal U3+^{3+} 5f3f^3 configuration, while core-level photoemission spectroscopy (PES) data of UCd11_{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 UCd11_{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 UCd11_{11} is a highly localized uranium 5f3f^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 5ff behavior.

Keywords

Cite

@article{arxiv.2604.16844,
  title  = {UCd$_{11}$: A strongly localized 5$f^3$ material},
  author = {Martin Sundermann and Naoki Ito and Daisuke Takegami and Chun-Fu Chang and Sheng-Huai Chen and Chang-Yang Kuo and Simone G. Altendorf and Andrei Gloskovskii and Hlynur Gretarsson and Eric D. Bauer and Jan Kuneš and Liu Hao Tjeng and Andrea Severing and Atsushi Hariki},
  journal= {arXiv preprint arXiv:2604.16844},
  year   = {2026}
}
R2 v1 2026-07-01T12:15:46.108Z