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Orbital Order Triggered Out-of-Plane Ferroelectricity in Magnetic Transition Metal di-halide Monolayers

Orbital Order Triggered Out-of-Plane Ferroelectricity in Magnetic Transition Metal di-halide Monolayers

Although multiferroics have undergone extensive examination for several decades, the occurrence of ferroelectricity induced by orbital order is only scarcely documented. In this study, we propose the existence of spontaneous ferroelectric states featuring a finite out-of-plane polarization in monolayer compounds of magnetic transition metal di-halides. Our first principles analysis reveals …