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Analyzing the Local Electronic Structure of Co$_3$O$_4$ Using 2p3d Resonant Inelastic X-ray Scattering

Wang, Ru-Pan; Huang, Meng-Jie 1; Hariki, Atsushi; Okamoto, Jun; Huang, Hsiao-Yu; Singh, Amol; Huang, Di-Jing; Nagel, Peter 1; Schuppler, Stefan 1; Haarman, Ties; Liu, Boyang ; de Groot, Frank M. F.
1 Institut für QuantenMaterialien und Technologien (IQMT), Karlsruher Institut für Technologie (KIT)

Abstract:

We present the cobalt 2p3d resonant inelastic X-ray scattering (RIXS) spectra of Co$_3$O$_4$. Guided by multiplet simulation, the excited states at 0.5 and 1.3 eV can be identified as the $^4$T$_2$ excited state of the tetrahedral Co$^{2+}$ and the $^3$T$_{2g}$ excited state of the octahedral Co$^{3+}$, respectively. The ground states of Co$^{2+}$ and Co$^{3+}$ 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 Co$^{2+}$ is the magnetically active site in Co$_3$O$_4$. Additionally, the ligand-to-metal charge transfer analysis shows strong orbital hybridization between the cobalt and oxygen ions at the Co$^{3+}$ site, while the hybridization is weak at the Co$^{2+}$ site.


Verlagsausgabe §
DOI: 10.5445/IR/1000147704
Veröffentlicht am 08.06.2022
Originalveröffentlichung
DOI: 10.1021/acs.jpcc.2c01521
Scopus
Zitationen: 5
Web of Science
Zitationen: 4
Dimensions
Zitationen: 5
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für QuantenMaterialien und Technologien (IQMT)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 26.05.2022
Sprache Englisch
Identifikator ISSN: 1932-7447, 1932-7455
KITopen-ID: 1000147704
HGF-Programm 47.11.02 (POF IV, LK 01) Emergent Quantum Phenomena
Erschienen in The Journal of Physical Chemistry C
Verlag American Chemical Society (ACS)
Band 126
Heft 20
Seiten 8752–8759
Vorab online veröffentlicht am 11.05.2022
Nachgewiesen in Web of Science
Dimensions
Scopus
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