Abstract
By analog to Maxwell construction for the first-order phase transition, the pseudo Jahn-Teller polar distortion arises naturally once the local bond length of transition-metal oxygen octahedra is enhanced beyond the inflexion point of pair potential into the concave-down dominated region. This concept is applied to search for the new multiferroic compounds for which we specifically choose the $({\mathrm{BaMnO}}_{3}){}_{1}$/$({\mathrm{BaFeO}}_{3}){}_{1}$ superlattice as a candidate. The large Ba radius favors the polar distortion in a ${\mathrm{BaMnO}}_{3}$ layer, while the orbital-ordering-induced superexchange ferromagnetic coupling among Fe-Fe and double-exchange mediated ferromagnetic coupling among Fe-Mn ions stabilize the overall ferromagnetic insulator. A large magnetic moment of $7{\ensuremath{\mu}}_{B}$ per unit cell and electric polarization of $14.4\ensuremath{\mu}{\mathrm{C}\phantom{\rule{0.16em}{0ex}}\mathrm{cm}}^{\ensuremath{-}2}$ are obtained. Our study offers an important insight for designing robust multiferroic compounds in the future.
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