Oxygen and Silicon K-EXAFS in SiO$\text{}_{2}$

Abstract

The aim of this work was to calculate EXAFS (extended X-ray absorption fine structure) profile of the constituent elements for SiO$\text{}_{2}$ 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 SiO$\text{}_{2}$ were obtained from calculations