SiO ₂ in 6:3 (stishovite) and 4:2 Co‐ordination—Characterization by core level spectroscopy (XPS/XAES)

Abstract

Abstract A comprehensive XPS/XAES investigation of the dense 6:3 co‐ordinated SiO 2 polymorph stishovite in comparison with different SiO 4/2 samples and Si was carried out for the first time. By evaluation of initial state and final state shift contributions, effective charges and extra‐atomic relaxation energies were determined and discussed in the context of the electronic structure for different co‐ordination numbers. The reduced binding energies of Si and O lines for stishovite are due to the higher extra‐atomic relaxation energy in comparison to SiO 4/2 , which correlates with the higher dielectric constant and the lower gap energy in SiO 6/3 . The effective charges are only slightly higher in stishovite than e.g. in quartz.