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| 001 | 641689 | ||
| 005 | 20260209140049.0 | ||
| 024 | 7 | _ | |a 10.1103/t6hm-q647 |2 doi |
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| 100 | 1 | _ | |a Sundermann, Martin |0 P:(DE-H253)PIP1028536 |b 0 |e Corresponding author |
| 245 | _ | _ | |a UTe2: A narrow-band superconductor |
| 260 | _ | _ | |a College Park, MD |c 2025 |b APS |
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| 520 | _ | _ | |a We investigate the nature of the 5𝑓 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, $𝜇_{dc}$, within the DFT+DMFT part. This tuning is guided by the energy dependence of photoionization 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 U4𝑓core-level data. The DFT+DMFT model reveals that in UTe$_2$ U5𝑓$^𝑛$ configurations with 𝑛=1–4 contribute to the ground state, with the 5𝑓$^2$configuration being most prevalent and an average 5𝑓 shell filling close to 2.5. The model further suggests that the 5𝑓 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 U6𝑑 states in UTe$_2$ is discussed. |
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| 700 | 1 | _ | |a Okauchi, Takaki |0 P:(DE-HGF)0 |b 1 |e Corresponding author |
| 700 | 1 | _ | |a Ito, Naoki |0 P:(DE-HGF)0 |b 2 |
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| 700 | 1 | _ | |a Marino, Andrea |0 P:(DE-H253)PIP1089951 |b 4 |
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| 700 | 1 | _ | |a Gloskovskii, Andrei |0 P:(DE-H253)PIP1007694 |b 6 |
| 700 | 1 | _ | |a Rosa, Priscila F. S. |0 0000-0002-3437-548X |b 7 |
| 700 | 1 | _ | |a Kuneš, Jan |0 0000-0001-9682-7640 |b 8 |
| 700 | 1 | _ | |a Fujimori, Shin-ichi |0 0000-0001-5469-7972 |b 9 |
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| 700 | 1 | _ | |a Severing, Andrea |0 P:(DE-H253)PIP1027074 |b 11 |
| 700 | 1 | _ | |a Hariki, Atsushi |0 P:(DE-H253)PIP1107589 |b 12 |e Corresponding author |
| 773 | _ | _ | |a 10.1103/t6hm-q647 |g Vol. 7, no. 4, p. 043195 |0 PERI:(DE-600)3004165-X |n 4 |p 043195 |t Physical review research |v 7 |y 2025 |x 2643-1564 |
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