UTe2: A narrow-band superconductor

J 2025

UTe2: A narrow-band superconductor

SUNDERMANN, Martin; Takaki OKAUCHI; Naoki ITO; Denise S CHRISTOVAM; Andrea MARINO et al.

Základní údaje

Originální název

UTe2: A narrow-band superconductor

Autoři

Vydání

Physical Review Research, American Physical Society, 2025, 2643-1564

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10302 Condensed matter physics

Stát vydavatele

Spojené státy

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 4.200 v roce 2024

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/25:00143499

Organizační jednotka

Přírodovědecká fakulta

Klíčová slova anglicky

Strongly correlated systems; Dynamical mean field theory; X-ray photoelectron spectroscopy

Štítky

14312020, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 21. 1. 2026 12:16, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

We investigate the nature of the 5 f electrons in the unconventional odd-parity superconductor UTe2, 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, mu 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 U 4 f core-level data. The DFT + DMFT model reveals that in UTe2 U 5 fn 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 U 6d states in UTe2 is discussed.

Návaznosti

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Název: e-INFRA CZ II

Citovat

SUNDERMANN, Martin; Takaki OKAUCHI; Naoki ITO; Denise S CHRISTOVAM; Andrea MARINO; Daisuke TAKEGAMI; Andrei GLOSKOVSKII; Priscila F S ROSA; Jan KUNEŠ; Shin-ichi FUJIMORI; Liu Hao TJENG; Andrea SEVERING a Atsushi HARIKI. UTe2: A narrow-band superconductor. Physical Review Research. American Physical Society, 2025, roč. 7, č. 4, s. 1-12. ISSN 2643-1564. Dostupné z: https://doi.org/10.1103/t6hm-q647.

@article{2548964,
   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, Shinandichi and Tjeng, Liu Hao and Severing, Andrea and Hariki, Atsushi},
   article_number = {4},
   doi = {https://doi.org/10.1103/t6hm-q647},
   keywords = {Strongly correlated systems; Dynamical mean field theory; X-ray photoelectron spectroscopy},
   language = {eng},
   issn = {2643-1564},
   journal = {Physical Review Research},
   title = {UTe2: A narrow-band superconductor},
   url = {https://journals.aps.org/prresearch/pdf/10.1103/t6hm-q647},
   volume = {7},
   year = {2025}
}

TY  - JOUR
ID  - 2548964
AU  - Sundermann, Martin - Okauchi, Takaki - Ito, Naoki - Christovam, Denise S - Marino, Andrea - Takegami, Daisuke - Gloskovskii, Andrei - Rosa, Priscila F S - Kuneš, Jan - Fujimori, Shin-ichi - Tjeng, Liu Hao - Severing, Andrea - Hariki, Atsushi
PY  - 2025
TI  - UTe2: A narrow-band superconductor
JF  - Physical Review Research
VL  - 7
IS  - 4
SP  - 1-12
EP  - 1-12
PB  - American Physical Society
SN  - 26431564
KW  - Strongly correlated systems
KW  - Dynamical mean field theory
KW  - X-ray photoelectron spectroscopy
UR  - https://journals.aps.org/prresearch/pdf/10.1103/t6hm-q647
N2  - We investigate the nature of the 5 f electrons in the unconventional odd-parity superconductor UTe2, 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, mu 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 U 4 f core-level data. The DFT + DMFT model reveals that in UTe2 U 5 fn 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 U 6d states in UTe2 is discussed.
ER  -

SUNDERMANN, Martin; Takaki OKAUCHI; Naoki ITO; Denise S CHRISTOVAM; Andrea MARINO; Daisuke TAKEGAMI; Andrei GLOSKOVSKII; Priscila F S ROSA; Jan KUNEŠ; Shin-ichi FUJIMORI; Liu Hao TJENG; Andrea SEVERING a Atsushi HARIKI. UTe2: A narrow-band superconductor. \textit{Physical Review Research}. American Physical Society, 2025, roč.~7, č.~4, s.~1-12. ISSN~2643-1564. Dostupné z: https://doi.org/10.1103/t6hm-q647.

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