Abstract

High-resolution x-ray absorption near-edge structures at At Kedge were collected on a series of garnets, pyrope (Mg 3 Al 2 Si 3 O 12 ), almandine (Fe 3 Al 2 Si 3 O 12 ), spessartine (Mn 3 Al 2 Si 3 O 12 ), and grossular (Ca 3 Al 2 Si 3 O 12 ), using a YB 66 crystal monochromator. Full multiple scattering (MS) calculations by using cluster models and different exchange-correlation potentials were compared with experimental data. An overall good agreement was obtained in the energy range up to 60 eV above the threshold and a clear evidence on the effect of atoms located far away from the first-coordination shell around the photoabsorber was obtained. Moreover the pre-edge feature can be explained in terms of the empty d bands of next nearest neighbors.

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