Analyzing the Local Electronic Structure of Co3O4Using 2p3d Resonant Inelastic X-ray Scattering

Ru Pan Wang, Meng Jie Huang, Atsushi Hariki, Jun Okamoto, Hsiao Yu Huang, Amol Singh, Di Jing Huang, Peter Nagel, Stefan Schuppler, Ties Haarman, Boyang Liu*, Frank M.F. De Groot

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

Abstract

We present the cobalt 2p3d resonant inelastic X-ray scattering (RIXS) spectra of Co3O4. Guided by multiplet simulation, the excited states at 0.5 and 13 eV can be identified as the T-4(2) excited state of the tetrahedral Co2+ and the T-3(2g) excited state of the octahedral Co3+, respectively. The ground states of Co2 + and Co3+ sites are determined to be high-spin (4)A(2) (T-d) and low-spin (1)A(1g) (O-h), respectively. It indicates that the high-spin Co2+ is the magnetically active site in Co3O4. Additionally, the ligand-tometal charge transfer analysis shows strong orbital hybridization between the cobalt and oxygen ions at the Co3+ site, while the hybridization is weak at the Co2+ site.
Original languageEnglish
Pages (from-to)8752-8759
Number of pages8
JournalJournal of Physical Chemistry C
Volume126
Issue number20
DOIs
Publication statusPublished - 26 May 2022

Keywords

  • Optical-absorption
  • Oxygen
  • Spectrometer
  • Spectroscopy
  • Beamline
  • Clusters
  • Spectra

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