Structure of Ge-Se Glasses: Extreme Compositions

DOI

We propose to measure the structure of glassy Ge2Se3 and GeSe9 which lie at either end of the glass forming region in the Ge-Se system. The motivation is provided by the need to understand the structure-function relationship in materials like Ge-Se where the system properties can be controlled by manipulating the composition. The new data will be used to test the validity of ongoing first principles molecular dynamics (FPMD) simulations which are non-trivial because the electronegativities of Ge and Se are comparable, leading to significant challenges for the density functional theory based FPMD calculations. The diffraction data are also required to normalise the results, and to extract the Debye-Waller factor, from our recent inelastic neutron scattering experiments using MARI to measure the vibrational density of states (VDOS).

Identifier
DOI https://doi.org/10.5286/ISIS.E.24088654
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24088654
Provenance
Creator Professor Phil Salmon; Dr Anita Zeidler; Mr Keiron Pizzey
Publisher ISIS Neutron and Muon Source
Publication Year 2015
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2012-05-28T08:57:35Z
Temporal Coverage End 2012-05-29T09:55:18Z