The local structure of germanium dioxide, in its crystalline (quartzlike and rutilelike) and amorphous (a-GeO(2)) solid phases, has been investigated by means of x-ray absorption spectroscopy (XAS). The short-range distance and angular distributions have been determined by modeling the experimental spectra with multiple-scattering contributions associated with selected n-body atomic configurations. Even for a-GeO(2), the experimental x-ray absorption signal ends up being significantly affected by the intra-tetrahedral (O-(GE) over cap -O) and inter-tetrahedral (Ge-(O) over cap -Ge) angle distributions. Results from the present XAS structural refinements, including experimental determination of the local bond-angle distributions, are compared with previous experiments and molecular dynamics simulations.

Multiple-scattering x-ray absorption analysis of quartzlike, rutilelike, and amorphous germanium dioxide

MINICUCCI, Marco;A. Trapananti;DI CICCO, Andrea
2011-01-01

Abstract

The local structure of germanium dioxide, in its crystalline (quartzlike and rutilelike) and amorphous (a-GeO(2)) solid phases, has been investigated by means of x-ray absorption spectroscopy (XAS). The short-range distance and angular distributions have been determined by modeling the experimental spectra with multiple-scattering contributions associated with selected n-body atomic configurations. Even for a-GeO(2), the experimental x-ray absorption signal ends up being significantly affected by the intra-tetrahedral (O-(GE) over cap -O) and inter-tetrahedral (Ge-(O) over cap -Ge) angle distributions. Results from the present XAS structural refinements, including experimental determination of the local bond-angle distributions, are compared with previous experiments and molecular dynamics simulations.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11581/237472
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