The partial dynamical structure factors and vibrational density of states in network glasses

DOI

The object of this proposal is to measure the partial dynamical structure factors and the partial vibrational density of states (VDOS) for the archetypal network forming glass GeSe2 by using the method of isotope substitution in neutron scattering. The work builds on an initial experiment using MARI where the partial VDOS for this material were extracted within the incoherent approximation. We now wish to take advantage of the attributes of MERLIN to separate the contributions to the scattering from all three partial dynamical structure factors S_GeGe(Q, E), S_SeSe(Q, E) and S_GeSe(Q, E) and hence obtain the partial VDOS for Ge and Se by integrating over the separated Ge-Ge and Se-Se partial structure factors, respectively. Recent ab initio molecular dynamics simulations on a variety of network glasses show that the partial VDOS thus obtained will be exact.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24079154
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24079154
Provenance
Creator Professor Phil Salmon; Mr Dean Whittaker; Professor Steve Bennington
Publisher ISIS Neutron and Muon Source
Publication Year 2012
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 2009-12-09T11:19:43Z
Temporal Coverage End 2009-12-15T17:28:06Z