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Differences in XANES of isostructural and isoelectronic delafossites

Francesco Rocca;
2009
2009
Istituto di fotonica e nanotecnologie - IFN
XAFS14 - XIX “International Conference on X-ray Absorption fine Structure” , 26-31 July 2009
No
Camerino, MC (Italia)
Abstract: Materials with similar structure and with similar chemical properties are expected to yield similar x-ray absorption near-edge structure (XANES) spectra. In our work we analyze Cu K-edge XANES of delafossites CuScO2 and CuLaO2. Trigonal (3R) CuScO2 and CuLaO2 are isostructural and isoelectronic (Sc and La belong to the same group of the periodic table), hence their Cu K-edge XANES should be very similar. However, significant differences were found in the measured Cu K-edge XANES of 3R CuScO2 and 3R CuLaO2. These differences can be understood by considering the calculated polarization dependence of the XANES spectra and the differences between the phaseshifts of Sc and La. A pre-edge peak appears in the XANES of delafossites around 8980 eV. In the calculated spectra, this pre-peak is present only in the component with the polarization vector lying in the ab plane. Our analysis suggests that this pre-peak is connected with scattering of the photoelectron by at least seven Cu atoms in the ab plane and fourteen O atoms which linearly coordinate these seven Cu atoms. In this respect the situation is analogous to the case of Cu K-edge XANES of Cu2O.
4
none
Sipr, Ondrej; Rocca, Francesco; Simunek, Antonin; Fornasini, Paolo
273
info:eu-repo/semantics/conferenceObject
04 Contributo in convegno::04.01 Contributo in Atti di convegno
04.01 Contributo in Atti di convegno
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/80012
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