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Interplay between defect transport and cation spin frustration in corundum-structured oxides
, A Kohnert A, E Holby F, B Uberuaga P
Published in American Physical Society
2021
Volume: 5
   
Issue: 3
Abstract
Despite the fundamental importance of mass transport, there is still a lack of knowledge regarding the mechanisms in many materials. In particular, how the magnetic spin structure interacts with migrating defects is unclear. Here, using density functional theory to examine cation interstitial transport in antiferromagnetic corundum-structured oxides, we reveal an interplay between the migration of the interstitial and the magnetic structure of the oxide. The magnetic spin configuration impacts the migration energy of the migrating defect but, critically, the defect modifies the spin configuration. Thus, the two aspects change in concert to modify one another. This has profound implications for mass transport in magnetic materials. © 2021 American Physical Society.
About the journal
JournalData powered by TypesetPhysical Review Materials
PublisherData powered by TypesetAmerican Physical Society
ISSN24759953
Open AccessNo