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

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Article number037202
JournalPhysical review letters
Volume104
Issue number3
DOIs
StatePublished - Jan 20 2010

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cations
frustration
superlattices
ground state

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

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title = "Magnetostructural effect in the multiferroic BiFeO3-BiMnO3 checkerboard from first principles",
abstract = "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.",
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Magnetostructural effect in the multiferroic BiFeO3-BiMnO3 checkerboard from first principles. / Pálová, L.; Chandra, Premala; Rabe, Karin.

In: Physical review letters, Vol. 104, No. 3, 037202, 20.01.2010.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Magnetostructural effect in the multiferroic BiFeO3-BiMnO3 checkerboard from first principles

AU - Pálová, L.

AU - Chandra, Premala

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N2 - 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.

AB - 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.

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