Sliding ferroelectricity in kagome-B2X3 (X = S, Se, Te) bilayers

Abstract

Different from the honeycomb monolayer (like graphene), the single-layer boron chalcogenide B2X3 (X = S, Se, Te) exhibits a kagome lattice. Using the first-principles calculations, the existence of sliding ferroelectricity in van der Waals kagome-B2X3 bilayers is demonstrated. The sliding ferroelectricity results from the breaking of the inversion symmetry by interlayer sliding. In addition, there are multiple stable states in a unit cell for kagome-lattice bilayers. The bandgap is found to vary with sliding distance. By choosing specific pathways, not only the out-of-plane polarization but also the in-plane polarization can be reversed by interlayer sliding. Such a simultaneous reversal for both in-plane and out-of-plane polarizations by sliding would be useful for applications in various devices. These behaviors are found in all the three configurations (X = S, Se, Te), suggesting they are the intrinsic features of such systems and may throw light on the development of future devices.