Skip to main content
Kent Academic Repository

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

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

PDF Author's Accepted Manuscript
Language: English
Download this file
(PDF/1MB)
[thumbnail of NiOCoO_RMC_Special_issue_resubmit.pdf]
Preview
Request a format suitable for use with assistive technology e.g. a screenreader
Microsoft Word Author's Accepted Manuscript
Language: English

Restricted to Repository staff only
[thumbnail of NiOCoO_RMC_Special_issue_resubmit.docx]
PDF Publisher pdf
Language: English


Download this file
(PDF/2MB)
[thumbnail of Physica Scripta PS 2016.pdf]
Preview
Request a format suitable for use with assistive technology e.g. a screenreader
Official URL:
http://dx.doi.org/10.1088/0031-8949/91/11/114004

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: Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User: Michael Woods
Date Deposited: 03 Nov 2016 15:26 UTC
Last Modified: 04 Jul 2023 13:45 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/57975 (The current URI for this page, for reference purposes)

University of Kent Author Information

  • Depositors only (login required):

Total unique views for this document in KAR since July 2020. For more details click on the image.