Fingerprints of Mott and Slater gaps in the core-level
photoemission spectra of antiferromagnetic iridates

J 2025

Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates

NAKAGAWA, K.; A. HARIKI; T. OKAUCHI; H. FUJIWARA; K.-H. AHN et. al.

Základní údaje

Originální název

Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates

Autoři

Vydání

Physical Review B, American Physical Society, 2025, 2469-9950

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: 3.700 v roce 2024

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.1103/PhysRevB.111.195114

UT WoS

001491972200004

EID Scopus

2-s2.0-105004730815

Klíčová slova anglicky

Electronic structure; Antiferromagnets; Mott insulators; DFT+DMFT; X-ray photoemission electron microscopy

Štítky

14312020, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 29. 5. 2025 10:21, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

We present Ir 4 f core-level hard-x-ray photoemission spectroscopy (HAXPES) experiments conducted across the antiferromagnetic (AFM) ordering transition in Ruddlesden-Popper iridates Sr2IrO4 and Sr3Ir2O7. The Ir 4 f spectra exhibit distinct changes between the AFM and paramagnetic (PM) phases, with the spectral difference IPM - IAFM showing a contrasting behavior in the two compounds. By employing computational simulations using the local density approximation combined with the dynamical mean-field theory method, we elucidate that IPM - IAFM primarily reflects the Slater or Mott-Hubbard character of the AFM insulating state rather than material-specific details, such as crystal and/or band structures. This sensitivity to fine low-energy electronic structure arises from the dependence of charge-transfer responses to the sudden creation of a localized core hole on both metal-insulator transitions and long-range AFM ordering. Our result broadens the applications of core-level HAXPES as a tool for characterization of electronic structure in 5d transition-metal compounds.

Návaznosti

EH22_008/0004572, projekt VaV

Název: Kvantové materiály pro aplikace v udržitelných technologiích

Citovat

NAKAGAWA, K.; A. HARIKI; T. OKAUCHI; H. FUJIWARA; K.-H. AHN; Y. MURAKAMI; S. HAMAMOTO; Y. KANAI-NAKATA; T. KADONO; A. HIGASHIYA; K. TAMASAKU; M. YABASHI; T. ISHIKAWA; A. SEKIYAMA; S. IMADA; Jan KUNEŠ; K. TAKASE a A. YAMASAKI. Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates. Physical Review B. American Physical Society, 2025, roč. 111, č. 19, s. 1-10. ISSN 2469-9950. Dostupné z: https://doi.org/10.1103/PhysRevB.111.195114.

@article{2499798,
   author = {Nakagawa, K. and Hariki, A. and Okauchi, T. and Fujiwara, H. and Ahn, K.andH. and Murakami, Y. and Hamamoto, S. and KanaiandNakata, Y. and Kadono, T. and Higashiya, A. and Tamasaku, K. and Yabashi, M. and Ishikawa, T. and Sekiyama, A. and Imada, S. and Kuneš, Jan and Takase, K. and Yamasaki, A.},
   article_number = {19},
   doi = {https://doi.org/10.1103/PhysRevB.111.195114},
   keywords = {Electronic structure; Antiferromagnets; Mott insulators; DFT+DMFT; X-ray photoemission electron microscopy},
   language = {eng},
   issn = {2469-9950},
   journal = {Physical Review B},
   title = {Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates},
   url = {https://doi.org/10.1103/PhysRevB.111.195114},
   volume = {111},
   year = {2025}
}

TY  - JOUR
ID  - 2499798
AU  - Nakagawa, K. - Hariki, A. - Okauchi, T. - Fujiwara, H. - Ahn, K.-H. - Murakami, Y. - Hamamoto, S. - Kanai-Nakata, Y. - Kadono, T. - Higashiya, A. - Tamasaku, K. - Yabashi, M. - Ishikawa, T. - Sekiyama, A. - Imada, S. - Kuneš, Jan - Takase, K. - Yamasaki, A.
PY  - 2025
TI  - Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates
JF  - Physical Review B
VL  - 111
IS  - 19
SP  - 1-10
EP  - 1-10
PB  - American Physical Society
SN  - 24699950
KW  - Electronic structure
KW  - Antiferromagnets
KW  - Mott insulators
KW  - DFT+DMFT
KW  - X-ray photoemission electron microscopy
UR  - https://doi.org/10.1103/PhysRevB.111.195114
N2  - We present Ir 4 f core-level hard-x-ray photoemission spectroscopy (HAXPES) experiments conducted across the antiferromagnetic (AFM) ordering transition in Ruddlesden-Popper iridates Sr2IrO4 and Sr3Ir2O7. The Ir 4 f spectra exhibit distinct changes between the AFM and paramagnetic (PM) phases, with the spectral difference IPM - IAFM showing a contrasting behavior in the two compounds. By employing computational simulations using the local density approximation combined with the dynamical mean-field theory method, we elucidate that IPM - IAFM primarily reflects the Slater or Mott-Hubbard character of the AFM insulating state rather than material-specific details, such as crystal and/or band structures. This sensitivity to fine low-energy electronic structure arises from the dependence of charge-transfer responses to the sudden creation of a localized core hole on both metal-insulator transitions and long-range AFM ordering. Our result broadens the applications of core-level HAXPES as a tool for characterization of electronic structure in 5d transition-metal compounds.
ER  -

NAKAGAWA, K.; A. HARIKI; T. OKAUCHI; H. FUJIWARA; K.-H. AHN; Y. MURAKAMI; S. HAMAMOTO; Y. KANAI-NAKATA; T. KADONO; A. HIGASHIYA; K. TAMASAKU; M. YABASHI; T. ISHIKAWA; A. SEKIYAMA; S. IMADA; Jan KUNEŠ; K. TAKASE a A. YAMASAKI. Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates. \textit{Physical Review B}. American Physical Society, 2025, roč.~111, č.~19, s.~1-10. ISSN~2469-9950. Dostupné z: https://doi.org/10.1103/PhysRevB.111.195114.

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