Local versus Nonlocal States of La <b> <sub>2</sub> </b> CoMnO <b> <sub>6</sub> </b> Observed with 1s2p Resonant Inelastic X-ray Scattering

Co and Mn K-edge multiplets of bimetallic perovskite La2CoMnO6 nanoparticles (NP) and thin films are studied using high-resolution 1s2p resonant inelastic X-ray scattering (1s2p RIXS). Both the La2CoMnO6 NP and thin films exhibit Co2+ and Mn4+ valence states. A strong nonlocal peak is observed in the La2CoMnO6 NP, which becomes weaker in epitaxial La2CoMnO6 thin films grown on a SrTiO3 (0 0 1) substrate. Guided by charge-transfer multiplet calculations, the Co and Mn 1s to 3d quadrupole pre-edge X-ray absorption near-edge structure (XANES) and 1s2p RIXS spectra were calculated, showing good agreement with experimental observations. Using Density Functional Theory (DFT) + U simulations, the metal ions 1s to nonlocal 3d-4p dipole transitions are successfully reproduced. The nonlocal peak can be explained as dipole transitions to metal–metal charge-transfer interactions facilitated by the oxygen 2p state. This study underscores nonlocal hybridizations beyond the local 1s to 3d quadrupole transitions in K-edge X-ray absorption spectra.

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Journal
Photon Science
Published
2026-05-12
DOI
https://doi.org/10.1021/photonsci.6c00002
Primary Topic
Magnetic and transport properties of perovskites and related materials
Type
article
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article

Local versus Nonlocal States of La 2 CoMnO 6 Observed with 1s2p Resonant Inelastic X-ray Scattering

Frank M. F. de Groot, Dimosthenis Sokaras, Iris C. G. van den Bosch, Christoph Baeumer et al.
Photon Science
Magnetic and transport properties of perovskites and related materials
article

Local versus Nonlocal States of La 2 CoMnO 6 Observed with 1s2p Resonant Inelastic X-ray Scattering

Frank M. F. de Groot, Dimosthenis Sokaras, Iris C. G. van den Bosch, Christoph Baeumer, Qijun Che
article en

Abstract

Co and Mn K-edge multiplets of bimetallic perovskite La2CoMnO6 nanoparticles (NP) and thin films are studied using high-resolution 1s2p resonant inelastic X-ray scattering (1s2p RIXS). Both the La2CoMnO6 NP and thin films exhibit Co2+ and Mn4+ valence states. A strong nonlocal peak is observed in the La2CoMnO6 NP, which becomes weaker in epitaxial La2CoMnO6 thin films grown on a SrTiO3 (0 0 1) substrate. Guided by charge-transfer multiplet calculations, the Co and Mn 1s to 3d quadrupole pre-edge X-ray absorption near-edge structure (XANES) and 1s2p RIXS spectra were calculated, showing good agreement with experimental observations. Using Density Functional Theory (DFT) + U simulations, the metal ions 1s to nonlocal 3d-4p dipole transitions are successfully reproduced. The nonlocal peak can be explained as dipole transitions to metal–metal charge-transfer interactions facilitated by the oxygen 2p state. This study underscores nonlocal hybridizations beyond the local 1s to 3d quadrupole transitions in K-edge X-ray absorption spectra.

Photon Science
Utrecht University (NL), SLAC National Accelerator Laboratory (US), Institute of Nanotechnology (GB), University of Twente (NL)
Openalex Percentile: Top 13%
Magnetic and transport properties of perovskites and related materials
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