Switchable half-metallicity in A-type antiferromagnetic NiI2 bilayer coupled with ferroelectric In2Se3

Abstract Electrically controlled half-metallicity in antiferromagnets is of great significance for both fundamental research and practical application. Here, by constructing van der Waals heterostructures composed of two-dimensional (2D) A-type antiferromagnetic NiI2 bilayer (bi-NiI2) and ferroelectric In2Se3 with different thickness, we propose that the half-metallicity is realizable and switchable in the bi-NiI2 proximate to In2Se3 bilayer (bi-In2Se3). The polarization flipping of the bi-In2Se3 successfully drives transition between half-metal and semiconductor for the bi-NiI2. This intriguing phenomenon is attributed to the joint effect of polarization field-induced energy band shift and interfacial charge transfer. Besides, the easy magnetization axis of the bi-NiI2 is also dependent on the polarization direction of the bi-In2Se3. The half-metallicity and magnetic anisotropy energy of the bi-NiI2 in heterostructure can be effectively manipulated by strain. These findings provide not only a feasible strategy to achieve and control half-metallicity in 2D antiferromagnets, but also a promising candidate to design advanced nanodevices.