First-Principles Study of Magnetoelectric Coupling at Fe/BiFeO3(001) Interfaces

We predict strong interface multiferroicity at bcc-Fe/BiFeO3(001) heterointerfaces by using firstprinciples calculations. For the identified stable atomic structure, we quantify the changes in the orientation of the magnetic moments of bcc Fe due to the reversal of the electric polarization of BiFeO3. By determining the magnetoelectric tensor, we find that the magnetoelectric coupling of the present ferromagneticmultiferroic interface is an order of magnitude larger than that of a ferromagnetic-ferroelectric interface, bcc-Fe/BaTiO3(001).