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Strain-induced isosymmetric phase transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mtext>BiFeO</mml:mtext></mml:mrow><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>
We calculate the effect of epitaxial strain on the structure and properties of multiferroic bismuth ferrite, BiFeO3, using first-principles density functional theory. We find that, while small strains cause only quantitative changes in behavior from the bulk material, compressive strains of greater than 4% induce an isosymmetric phase transition accompanied …