Oxygen and Silicon K-EXAFS in SiO2
R. Nietubyć
Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warszawa, Poland
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The aim of this work was to calculate EXAFS (extended X-ray absorption fine structure) profile of the constituent elements for SiO2 in β-quartz and in its amorphous form within a single scattering curved waves approximation. This method extends the EXAFS analysis to lower energies than the plane wave approximation. We have used wave functions for free ions and Pendry's procedure for central atom phase shifts calculation. Our results for Si K-EXAFS were consistent with experiment, whereas a significant deviation from experimental results for O K-EXAFS was observed. Similar EXAFS profiles for β-quartz and amorphous SiO2 were obtained from calculations.
DOI: 10.12693/APhysPolA.86.741
PACS numbers: 61.10.Wg, 78.70.Dm