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Exploration of Antiferromagnetic CoO and NiO using Reverse Monte Carlo Total Neutron Scattering Refinement

Saines, Paul J., Timm, Lisa, Tucker, Matthew G., Keen, David A., Thygesen, P.M.M., Goodwin, Andrew L (2016) Exploration of Antiferromagnetic CoO and NiO using Reverse Monte Carlo Total Neutron Scattering Refinement. Physica Scripta, 91 (11). ISSN 0031-8949. E-ISSN 1402-4896. (doi:10.1088/0031-8949/91/11/114004) (KAR id:57975)

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Abstract

The atomic and magnetic structures of CoO and NiO have been probed using reverse Monte Carlo refinements of neutron total scattering data. The results obtained show that the known magnetic structure for NiO can be recovered by the reverse Monte Carlo process starting from random spin configurations, but it is insensitive to the spin direction in the {111} ferromagnetic planes. Refinements of the magnetic structure of CoO starting from random spin configurations result in collinear or non-collinear magnetic structure, consistent with those reported by other techniques. Starting from an ordered collinear spin structure for CoO and NiO leads to different results than when starting from a random arrangement of spins, evidence for configurational bias that highlights the need to take care when selecting a starting model for reverse Monte Carlo refinements of magnetic structures.

Item Type: Article
DOI/Identification number: 10.1088/0031-8949/91/11/114004
Uncontrolled keywords: total neutron scattering, antiferromagnet, rock salt oxides, reverse Monte Carlo
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Michael Woods
Date Deposited: 03 Nov 2016 15:26 UTC
Last Modified: 29 May 2019 18:01 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/57975 (The current URI for this page, for reference purposes)
Saines, Paul J.: https://orcid.org/0000-0002-4207-2112
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