Journal Article

PUBDB-2025-05116

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png UTe2: A narrow-band superconductor

Sundermann, M. (Corresponding author)Extern* ; Okauchi, T. (Corresponding author) ; Ito, N. ; Christovam, D. S.Extern* ; Marino, A.Extern* ; Takegami, D.Extern* ; Gloskovskii, A.DESY* ; Rosa, P. F. S. ; Kuneš, J. ; Fujimori, S.-i. ; Tjeng, L. H.Extern* ; Severing, A.Extern* ; Hariki, A. (Corresponding author)Extern*

2025
APS College Park, MD

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Please use a persistent id in citations: doi:10.1103/t6hm-q647  doi:10.3204/PUBDB-2025-05116

Abstract: 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, $𝜇_{dc}$, 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 U4⁢𝑓core-level data. The DFT+DMFT model reveals that in UTe$_2$ U5⁢𝑓$^𝑛$ configurations with 𝑛=1–4 contribute to the ground state, with the 5⁢𝑓$^2$configuration being most prevalent and an average 5⁢𝑓 shell filling 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 U6⁢𝑑 states in UTe$_2$ is discussed.

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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)

Experiment(s):

1. PETRA Beamline P22 (PETRA III)

Appears in the scientific report 2025

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