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Article Dans Une Revue (Data Paper) Journal of Physics: Conference Series Année : 2016

Tracking the signature of low symmetry environments in the XAS K pre-edge

Résumé

For Co-containing crystalline compounds measured by XAS, the influence of the local symmetry on the K pre-edge features is studied using advanced Ligand Field Multiplet (LFM) calculations, which accurately take into account the p-d hybridization. The LFM theory is used to calculate the K pre-edge spectra of Co2+ in various environments and the absolute intensities of electric-quadrupole and -dipole transitions involved in the pre-edge. This enables to reproduce the spectra for cubic (Oh, Td) and lower symmetries (C4v, D3h), and allows quantitative derivation of the local p-d mixing.

Dates et versions

hal-03952296 , version 1 (23-01-2023)

Identifiants

Citer

M Hunault, V Vercamer, M Haverkort, M-A Arrio, C Brouder, et al.. Tracking the signature of low symmetry environments in the XAS K pre-edge. Journal of Physics: Conference Series, 2016, 712, pp.012005. ⟨10.1088/1742-6596/712/1/012005⟩. ⟨hal-03952296⟩
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