UTe$_2$: a narrow band superconductor
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arXiv
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| Main Authors: | , , , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866915670283780096 |
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| author | Sundermann, Martin Okauchi, Takaki Ito, Naoki Christovam, Denise S. Marino, Andrea Takegami, Daiskue Golskovskii, Andrei Rosa, Priscila F. S. Kuneš, Jan Fujimori, Shin ichi Tjeng, Liu Hao Severing, Andrea Hariki, Atsushi |
| author_facet | Sundermann, Martin Okauchi, Takaki Ito, Naoki Christovam, Denise S. Marino, Andrea Takegami, Daiskue Golskovskii, Andrei Rosa, Priscila F. S. Kuneš, Jan Fujimori, Shin ichi Tjeng, Liu Hao Severing, Andrea Hariki, Atsushi |
| contents | We investigate the nature of the 5$f$ electrons in the unconventional odd-parity superconductor UTe$_2$, focusing on the degree of covalency, localization versus itinerancy, and dominant electronic configuration. This is achieved using density functional theory (DFT) in combination with dynamical mean-field theory (DMFT) calculations. A key aspect of our approach is the material-specific tuning of the double-counting correction parameter, $μ_{\rm dc}$, within the DFT+DMFT part. This tuning is guided by the energy dependence of photo-ionization cross-sections in valence band photoelectron spectroscopy. The reliability of the parameters is confirmed by the accurate reproduction of the angle-resolved valence-band photoemission spectra and the U 4$f$ core-level data. The DFT+DMFT model reveals that in UTe$_2$ U 5$f^n$ configurations with n=1 to 4 contribute to the ground state, with the 5$f^2$ configuration being most prevalent and an average 5$f$ shell fillings close to 2.5. The model further suggests that the 5$f$ electrons form narrow bands and that charge fluctuations due to degeneracy play a role in addition to coherent valence dynamics arising from hybridization with the conduction bath. Additionally, the significance of the U 6$d$ states in UTe$_2$ is discussed. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2509_07915 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | UTe$_2$: a narrow band superconductor Sundermann, Martin Okauchi, Takaki Ito, Naoki Christovam, Denise S. Marino, Andrea Takegami, Daiskue Golskovskii, Andrei Rosa, Priscila F. S. Kuneš, Jan Fujimori, Shin ichi Tjeng, Liu Hao Severing, Andrea Hariki, Atsushi Strongly Correlated Electrons Superconductivity We investigate the nature of the 5$f$ electrons in the unconventional odd-parity superconductor UTe$_2$, focusing on the degree of covalency, localization versus itinerancy, and dominant electronic configuration. This is achieved using density functional theory (DFT) in combination with dynamical mean-field theory (DMFT) calculations. A key aspect of our approach is the material-specific tuning of the double-counting correction parameter, $μ_{\rm dc}$, within the DFT+DMFT part. This tuning is guided by the energy dependence of photo-ionization cross-sections in valence band photoelectron spectroscopy. The reliability of the parameters is confirmed by the accurate reproduction of the angle-resolved valence-band photoemission spectra and the U 4$f$ core-level data. The DFT+DMFT model reveals that in UTe$_2$ U 5$f^n$ configurations with n=1 to 4 contribute to the ground state, with the 5$f^2$ configuration being most prevalent and an average 5$f$ shell fillings close to 2.5. The model further suggests that the 5$f$ electrons form narrow bands and that charge fluctuations due to degeneracy play a role in addition to coherent valence dynamics arising from hybridization with the conduction bath. Additionally, the significance of the U 6$d$ states in UTe$_2$ is discussed. |
| title | UTe$_2$: a narrow band superconductor |
| topic | Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2509.07915 |