Analyzing the Local Electronic Structure of Co3O4Using 2p3d Resonant Inelastic X-ray Scattering
Wang, Ru Pan; Huang, Meng Jie; Hariki, Atsushi; Okamoto, Jun; Huang, Hsiao Yu; Singh, Amol; Huang, Di Jing; Nagel, Peter; Schuppler, Stefan; Haarman, Ties; Liu, Boyang; De Groot, Frank M.F.
(2022) Journal of Physical Chemistry C, volume 126, issue 20, pp. 8752 - 8759
(Article)
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
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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.
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Keywords: Optical-absorption, Oxygen, Spectrometer, Spectroscopy, Beamline, Clusters, Spectra, Electronic, Optical and Magnetic Materials, General Energy, Surfaces, Coatings and Films, Physical and Theoretical Chemistry
ISSN: 1932-7447
Publisher: American Chemical Society
Note: Funding Information: We gratefully acknowledge the synchrotron light source KARA and the KNMF at Karlsruhe, Germany, and the Taiwan Light Source at Hsinchu, Taiwan, for the provision of beam time. The authors thank the technical staff for their help with the XAS and RIXS measurements. The experiments were supported by an ERC Advanced Grant (Grant Agreement No. 340279-XRAYonACTIVE). A.H. was supported by JSPS KAKENHI Grant Number 21K13884. D.J.H. was supported by the Ministry of Science and Technology of Taiwan under Grant No. 106-2112-M-213-008-MY3. R.P.W. acknowledges funding by the German Ministry of Education and Research (BMBF), Grant No. 05K19GU2. Publisher Copyright: © 2022 American Chemical Society. All rights reserved.
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