Electrically reversible magnetization at the antiperovskite/perovskite interface

Abstract

Using density-functional calculations, we predict the emergence of electrically reversible magnetization at the interface between antiferromagnetic noncollinear antiperovskite $\mathrm{GaNM}{\mathrm{n}}_{3}$ and ferroelectric perovskite $\mathrm{BaTi}{\mathrm{O}}_{3}$. We find that Mn magnetic moments are enhanced and reoriented at the $\mathrm{GaNM}{\mathrm{n}}_{3}/A\mathrm{Ti}{\mathrm{O}}_{3}$ (001) ($A=\mathrm{Sr}$ and Ba) interface, resulting in a sizable net magnetization along the [110] direction. This magnetization is reversed with ferroelectric polarization of $\mathrm{BaTi}{\mathrm{O}}_{3}$ through $\ensuremath{\sim}{20}^{\ensuremath{\circ}}$ rotation of the noncollinear magnetic moments. The effect is driven by ferroelectric modulation of the antiferromagnetic exchange coupling between the interfacial Mn atoms mediated by the Mn-$3d$ orbital population. Our results open opportunities for controlling the magnetic properties by electric fields by exploiting noncollinear antiferromagnetism at antiperovskite/perovskite interfaces.