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.
authors.affiliation: Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08854, USA.
authors.forename: L
authors.initials: L
authors.lastname: Pálová
authors.forename: P
authors.initials: P
authors.lastname: Chandra
authors.forename: K M
authors.initials: KM
authors.lastname: Rabe