Tailoring the properties of 3d transition metal perovskite oxides through strain: a first-principles study

In this talk I will present our recent computational work on how strain can stabilize phases that are higher-energy local minima of the bulk material of 3d transition metal perovskite oxides. Particular examples will include BiMnO$_3$, that is a ferromagnet paraelectric in bulk, but we predict that it is a paramagnet ferroelectric as an epitaxial film, and Bi$_2$NiMnO$_6$, which we predict that is a ferroelectric ferromagnet when grown under epitaxial tension. We will also compare the behavior in bismuth transition-metal oxides with that in other perovskites such as BaTiO$_3$ and PbTiO$_3$.