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BiFeO$_3$ is the most famous multiferroic material, but it has no strongspontaneous magnetization due to its antiferromagnetism. Here we show thatgiant ferroelectric polarization and strong spontaneous magnetization can beboth realized in double perovskite Bi$_2$FeMoO$_6$ with R3 (\#146) space groupbased on BiFeO$_3$. Our first-principles phonon spectra establishes that thismultiferroic R3 phase is stable. Our systematic calculations show that it is aspin-polarized semiconductor with gap reaching to 0.54 eV and has a strongferroelectric polarization of 85$\mu$C/cm$^2$. This ferroelctricity iscomparable with that of BiFeO$_3$, but here obtained is a strong ferrimagnetismwith net magnetic moment of 2$\mu_B$ per formula unit and Curie temperature of650 K. Both ferroelectric polarization and magnetic easy axis are shown to bein pseudocubic [111] orientation. Our further analysis shows that themacroscopic spontaneous magnetization can be deterministically reversed througha three-step path by external electric field. Therefore, we believe that thisBi$_2$FeMoO$_6$ material can be used to design new multifunctional materialsand achieve high-performance devices.

Giant ferroelectric polarization and electric reversal of strong spontaneous magnetization in multiferroic Bi2FeMoO6