Informace o publikaci
Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates
| Autoři | |
|---|---|
| Rok publikování | 2025 |
| Druh | Článek v odborném periodiku |
| Časopis / Zdroj | Physical Review B |
| Fakulta / Pracoviště MU | |
| Citace | |
| www | https://doi.org/10.1103/PhysRevB.111.195114 |
| Doi | https://doi.org/10.1103/PhysRevB.111.195114 |
| Klíčová slova | Electronic structure; Antiferromagnets; Mott insulators; DFT+DMFT; X-ray photoemission electron microscopy |
| Popis | 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. |