Core level excitation spectra of La and Mn ions in LaMnO3

doi:10.1088/1674-1056/acfaf5

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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[1]	Pressure-induced new chemistry Jianyan Lin(蔺健妍), Xin Du(杜鑫), Guochun Yang(杨国春). Chin. Phys. B, 2019, 28(10): 106106.

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Core level excitation spectra of La and Mn ions in LaMnO3

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Core level excitation spectra of La and Mn ions in LaMnO₃