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Chin. Phys. B, 2024, Vol. 33(3): 033201    DOI: 10.1088/1674-1056/acfaf5
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Core level excitation spectra of La and Mn ions in LaMnO3

Fujian Li(李福建), Xinlu Cheng(程新路), and Hong Zhang(张红)
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Chin
Abstract  Manganese-based perovskite is popular for research on ferromagnetic materials, and its spectroscopic studies are essential for understanding its electronic structure, dielectric, electrical, and magnetic properties. In this paper, the M-edge spectra of La ions and the M-edge, L-edge, and K-edge spectra of Mn ions in LaMnO3 are calculated by considering both the free-ion multiplet calculation and the crystal field effects. We analyze spectral shapes, identify peak origins, and estimate the oxidation states of La and Mn ions in LaMnO3 theoretically. It is concluded that La ions in LaMnO3 predominantly exist in the trivalent state, while Mn ions exist primarily in the trivalent state with a minor presence of tetravalent ions. Furthermore, the calculated spectra are in better conformity with the experimental spectra when the proportion of Mn3+ is 90% and Mn4+ is 10%. This article enhances our comprehension of the oxidation states of La and Mn within the crystal and also provides a valuable guidance for spectroscopic investigations of other manganates.
Keywords:  lanthanum manganate      the core level excitation spectra      free-ion multiplet calculation      oxidation state  
Received:  28 June 2023      Revised:  14 September 2023      Accepted manuscript online:  19 September 2023
PACS:  32.30.Rj (X-ray spectra)  
  61.05.cj (X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.)  
  78.70.Dm (X-ray absorption spectra)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 11974253).
Corresponding Authors:  Hong Zhang     E-mail:  hongzhang@scu.edu.cn

Cite this article: 

Fujian Li(李福建), Xinlu Cheng(程新路), and Hong Zhang(张红) Core level excitation spectra of La and Mn ions in LaMnO3 2024 Chin. Phys. B 33 033201

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