Tracking the signature of low symmetry environments in the XAS K pre-edge
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 sp...
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| Hauptverfasser: | , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
2016
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| In: |
Journal of physics. Conference Series
Year: 2016, Jahrgang: 712, Heft: 1, Pages: 012005 |
| ISSN: | 1742-6596 |
| DOI: | 10.1088/1742-6596/712/1/012005 |
| Online-Zugang: | Verlag, Volltext: http://dx.doi.org/10.1088/1742-6596/712/1/012005 Verlag, Volltext: http://stacks.iop.org/1742-6596/712/i=1/a=012005 
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| Verfasserangaben: | M. Hunault, V. Vercamer, M.W. Haverkort, M.-A. Arrio, C. Brouder, G. Calas and A. Juhin |
| Zusammenfassung: | 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 Co 2+ 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 (O h , T d ) and lower symmetries (C 4v , D 3h ), and allows quantitative derivation of the local p-d mixing. |
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| Beschreibung: | Gesehen am 08.11.2017 |
| Beschreibung: | Online Resource |
| ISSN: | 1742-6596 |
| DOI: | 10.1088/1742-6596/712/1/012005 |