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Epitaxial-strain-induced multiferroicity in SrMnO from first principles
Jun Hee Lee, Karin M. Rabe
First-principles density-functional calculations reveal a large spin-phonon coupling in cubic SrMnO, with ferromagnetic ordering producing a polar instability. Through combin…
Magnetostructural Effect in the Multiferroic BiFeO3-BiMnO3 Checkerboard from First Principles
L. Palova, P. Chandra, K. M. Rabe
Using first principles calculations, we present a magnetostructural effect in the BiFeO3-BiMnO3 nanocheckerboard that is not found in either bulk parent compound or in BiFeO3-BiMnO…
Strain-induced ferroelectricity in CaTiO from first principles
C. -J. Eklund, C. J. Fennie, K. M. Rabe
First principles calculations are used to investigate the effects of epitaxial strain on the structure of the perovskite oxide CaTiO, with particular focus on the stabilization…
Enhancing piezoelectricity through polarization-strain coupling in ferroelectric superlattices
Valentino R. Cooper, Karin M. Rabe
Short period ferroelectric/ferroelectric BaTiO3 (BTO)/PbTiO3 (PTO) superlattices are studied using density functional theory. Contrary to the trends in paraelectric/ferroelectric s…