Vacancy clusters and local magnetic structure of wüstite, Fe(1-x)O

DOI

The nature and distribution of vacancy defects in wüstite, Fe(1-x)O, is an important problem because the structural and dynamical properties of the mineral - both of which are affected by defect distributions - are implicated in key geophysical processes at the core-mantle boundary. A difficulty faced by traditional crystallographic studies of wüstite has been that the problem of vacancy distributions is really a question of local, rather than average, structure. This proposal aims to address the problem using total scattering and reverse Monte Carlo (RMC) techniques to build realistic three-dimensional atomistic models of wüstite that are consistent with both average and local structure information. The local magnetic structure of low-T antiferromagnetic Fe(1-x)O is thought to be affected by vacancy clusters, and we will determine this magnetic structure from our RMC analysis.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24069643
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24069643
Provenance
Creator Professor Martin Dove; Professor Andrew Goodwin; Professor David Keen; Dr Matthew Tucker; Dr Tom Bennett
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 2009-06-21T09:01:15Z
Temporal Coverage End 2009-06-23T07:41:15Z