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@ARTICLE{Sundermann:641689,
      author       = {Sundermann, Martin and Okauchi, Takaki and Ito, Naoki and
                      Christovam, Denise S. and Marino, Andrea and Takegami,
                      Daisuke and Gloskovskii, Andrei and Rosa, Priscila F. S. and
                      Kuneš, Jan and Fujimori, Shin-ichi and Tjeng, Liu Hao and
                      Severing, Andrea and Hariki, Atsushi},
      title        = {{UT}e2: {A} narrow-band superconductor},
      journal      = {Physical review research},
      volume       = {7},
      number       = {4},
      issn         = {2643-1564},
      address      = {College Park, MD},
      publisher    = {APS},
      reportid     = {PUBDB-2025-05116},
      pages        = {043195},
      year         = {2025},
      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.},
      cin          = {DOOR ; HAS-User / FS-PETRA-S},
      ddc          = {530},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PETRA-S-20210408},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G3 - PETRA III (DESY) (POF4-6G3) /
                      DFG project G:(GEPRIS)387555779 - Von versteckter bis
                      antiferromagnetischer Ordnung mit großem Moment in URu2Si2:
                      eine Röntgenstrahluntersuchung der 5f Besetzung und
                      Wellenfunktionssymmetrie. (387555779)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G3 /
                      G:(GEPRIS)387555779},
      experiment   = {EXP:(DE-H253)P-P22-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1103/t6hm-q647},
      url          = {https://bib-pubdb1.desy.de/record/641689},
}