Issue 7, 2003

Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium

Abstract

The electronic properties of two room temperature persistent phases of germanium dioxide have been studied by means of experimental and theoretical techniques. We collected the Ge-K edge XANES spectra of these materials at the GILDA beamline of ESRF. The density of states of the two crystal phases, obtained from fully periodic Hartree–Fock and density functional calculations, is taken as the reference term to rationalise and assign the manifolds of the XANES spectra. Although this scheme requires a number of severe approximations, we obtained a good overall agreement between experiment and theory. The topological analysis of the theoretical electron density distribution in the crystals gave further information regarding the electronic properties of germanium dioxide.

Article information

Article type
Paper
Submitted
04 Dec 2002
Accepted
13 Feb 2003
First published
24 Feb 2003

Phys. Chem. Chem. Phys., 2003,5, 1451-1456

Germanium K edge in GeO2 polymorphs. Correlation between local coordination and electronic structure of germanium

L. Bertini, P. Ghigna, M. Scavini and F. Cargnoni, Phys. Chem. Chem. Phys., 2003, 5, 1451 DOI: 10.1039/B212020H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements