Magnetostructural effect in the multiferroic BiFeO3-BiMnO3 checkerboard from first principles

Using first-principles calculations, we identify a magnetostructural effect in the BiFeO3-BiMnO3 nanocheckerboard that is not to be found in either the bulk parent compound or in BiFeO3-BiMnO3 superlattices with (001)-oriented Fe and Mn layers. The key role of the cation arrangement is explained by...

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Bibliographic Details
Published in:Physical review letters 2010-01, Vol.104 (3), p.037202-037202
Main Authors: Pálová, L, Chandra, P, Rabe, K M
Format: Article
Language:English
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Summary:Using first-principles calculations, we identify a magnetostructural effect in the BiFeO3-BiMnO3 nanocheckerboard that is not to be found in either the bulk parent compound or in BiFeO3-BiMnO3 superlattices with (001)-oriented Fe and Mn layers. The key role of the cation arrangement is explained by a simple model of the exchange coupling between cation spins, leading to magnetic frustration in the checkerboard. We also demonstrate that the atomic-scale checkerboard has a multiferroic ground state with the desired properties of each constituent material: polar and ferrimagnetic due to BiFeO3 and BiMnO3, respectively.
ISSN:1079-7114
DOI:10.1103/PhysRevLett.104.037202