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

Hunault, M., Vercamer, V., Haverkort, M. W., Arrio, M.-A., Brouder, C., Calas, G., et al. (2016). Tracking the signature of low symmetry environments in the XAS K pre-edge. Journal of Physics: Conference Series, 712: 012005, pp. 1-4. doi:10.1088/1742-6596/712/1/012005.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-3E88-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-2968-D
Genre: Journal Article

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 Creators:
Hunault, M.1, Author
Vercamer, V.1, Author
Haverkort, M. W.2, Author              
Arrio, M-A1, Author
Brouder, C.1, Author
Calas, G.1, Author
Juhin, A.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2Maurits Haverkort, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863455              

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 Abstract: 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 (C D3h), and allows quantitative derivation of the local p -d mixing.

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Language(s): eng - English
 Dates: 2016-12-012016-12-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
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Title: Journal of Physics: Conference Series
Source Genre: Journal
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Publ. Info: Bristol : IOP Publishing
Pages: - Volume / Issue: 712 Sequence Number: 012005 Start / End Page: 1 - 4 Identifier: ISSN: 1742-6588
CoNE: /journals/resource/111097776606042