L2,3x-ray absorption spectroscopy and multiplet calculations forKMF3andK2NaMF6(M=Ni,Cu)

C. De Nadaï, A. Demourgues, J. Grannec, F. M. F. de Groot
2001 Physical Review B (Condensed Matter)  
The electronic structures of nickel and copper have been studied for KM F 3 and K 2 NaM F 6 compounds by x-ray absorption spectroscopy at the Ni and Cu L 2,3 edges in order to characterize the M -F chemical bond. The spectral features have been interpreted based on the mixing of two ground-state configurations ͉3d n ͘ ϩ͉3d nϩ1 ͘L. Multiplet calculations were used to simulate each spectrum in order to quantify the charge transfer from fluorine to the transition metal yielding a 40% ground-state
more » ... a 40% ground-state contribution of the 3d 8 configuration for K 2 NaCuF 6 and 65% of the 3d 7 configuration for K 2 NaNiF 6 .
doi:10.1103/physrevb.63.125123 fatcat:d5ly6nhq2bbl7hpxfmpv2zgn6i