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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00635571" target="_blank" >RIV/68378271:_____/25:00635571 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216224:14310/25:00141250

Výsledek na webu

<a href="https://doi.org/10.1103/PhysRevB.111.195114" target="_blank" >https://doi.org/10.1103/PhysRevB.111.195114</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.111.195114" target="_blank" >10.1103/PhysRevB.111.195114</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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 Sr2⁢IrO4 and Sr3⁢Ir2⁢O7. 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 5⁢d transition-metal compounds.

Název v anglickém jazyce

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

Popis výsledku anglicky

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 Sr2⁢IrO4 and Sr3⁢Ir2⁢O7. 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 5⁢d transition-metal compounds.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/EH22_008%2F0004572" target="_blank" >EH22_008/0004572: Kvantové materiály pro aplikace v udržitelných technologiích</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

2469-9969

Svazek periodika

111

Číslo periodika v rámci svazku

19

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

195114

Kód UT WoS článku

001491972200004

EID výsledku v databázi Scopus

2-s2.0-105004730815