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Updated: Apr 19, 2026
Elemental-sensitive Detection of the Chemistry in Batteries through Soft X-ray Absorption Spectroscopy and Resonant Inelastic X-ray Scattering
Published on: April 17, 2018
Electronic structure and spin trapping in LiMnAs and LiFeAs:Mn
J A McLeod1, E Z Kurmaev, I Perez
1Department of Physics and Engineering Physics, University of Saskatchewan, 116 Science Place, Saskatoon, Saskatchewan S7N 5E2, Canada.
Abstract:
The electronic structure of insulating antiferromagnetic LiMnAs is investigated using soft x-ray spectroscopy and compared to the electronic structure of metallic LiFeAs. Our calculations support the experimentally observed insulating antiferromagnetic order in LiMnAs. The x-ray absorption and resonant inelastic x-ray scattering spectra in LiFeAs and LiMnAs are adequately explained by the electronic structure alone, although it is possible that LiMnAs has significant electronic correlations driven by Hund's J coupling. Finally, we show evidence of a possible spin trap in Li(Fe0.95Mn0.05)As.
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