UCd$_{11}$: A strongly localized 5$f^3$ material
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arXiv
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| Main Authors: | , , , , , , , , , , , , , |
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| Format: | Preprint |
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2026
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| _version_ | 1866918453139472384 |
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| author | Sundermann, Martin Ito, Naoki Takegami, Daisuke Chang, Chun-Fu Chen, Sheng-Huai Kuo, Chang-Yang Altendorf, Simone G. Gloskovskii, Andrei Gretarsson, Hlynur Bauer, Eric D. Kuneš, Jan Tjeng, Liu Hao Severing, Andrea Hariki, Atsushi |
| author_facet | Sundermann, Martin Ito, Naoki Takegami, Daisuke Chang, Chun-Fu Chen, Sheng-Huai Kuo, Chang-Yang Altendorf, Simone G. Gloskovskii, Andrei Gretarsson, Hlynur Bauer, Eric D. Kuneš, Jan Tjeng, Liu Hao Severing, Andrea Hariki, Atsushi |
| contents | UCd$_{11}$ is an antiferromagnetic uranium intermetallic compound ($T_{\rm N}$ = 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2604_16844 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | UCd$_{11}$: A strongly localized 5$f^3$ material Sundermann, Martin Ito, Naoki Takegami, Daisuke Chang, Chun-Fu Chen, Sheng-Huai Kuo, Chang-Yang Altendorf, Simone G. Gloskovskii, Andrei Gretarsson, Hlynur Bauer, Eric D. Kuneš, Jan Tjeng, Liu Hao Severing, Andrea Hariki, Atsushi Strongly Correlated Electrons Materials Science UCd$_{11}$ is an antiferromagnetic uranium intermetallic compound ($T_{\rm N}$ = 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. |
| title | UCd$_{11}$: A strongly localized 5$f^3$ material |
| topic | Strongly Correlated Electrons Materials Science |
| url | https://arxiv.org/abs/2604.16844 |