Coupling of the local defect and magnetic structure of wüstite Fe 1-xO

Saines, P.J. and Tucker, M.G. and Keen, D.A. and Cheetham, A.K. and Goodwin, A.L. (2013) Coupling of the local defect and magnetic structure of wüstite Fe 1-xO. Physical Review B - Condensed Matter and Materials Physics, 88 (13). ISSN 1098-0121. (doi:https://doi.org/10.1103/PhysRevB.88.134418) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

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Official URL
http://dx.doi.org/10.1103/PhysRevB.88.134418

Abstract

The local nuclear and magnetic structure of wüstite, Fe 1-xO, and the coupling between them, have been examined using reverse Monte Carlo refinements of variable-temperature neutron total scattering data. The results from this analysis suggest that the individual units in a tetrahedral defect cluster are connected along 〈110â Œ vectors into a Koch-Cohen-like arrangement, with the majority of octahedral vacancies concentrated near these defects. Bond valence calculations indicate a change in the charge distribution on the cations with the charge on the tetrahedral interstitials increasing on cooling. The magnetic structure is more complex than previously thought, corresponding to a noncollinear spin arrangement described by a superposition of a condensed spin wave on the established type-II antiferromagnetic ordering. This leads to an architecture with four groups of cations, each with different spin directions. The cations within the interstitial clusters appear to be weakly ferromagnetically coupled, and their spins are correlated to the spins of the octahedral cations closest to them. This work not only provides further insight into the local structure of wüstite but also enables a better understanding of the coupling between defect structures and magnetic and charge ordering in complex materials.

Item Type: Article
Subjects: Q Science > QC Physics > QC173.45 Condensed Matter
Q Science > QD Chemistry > QD478 Solid State Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Depositing User: Paul Saines
Date Deposited: 06 Oct 2015 15:21 UTC
Last Modified: 07 Oct 2015 09:30 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/50716 (The current URI for this page, for reference purposes)
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