Stacking-engineered ferroelectricity and multiferroic order in van der Waals magnets
arxiv(2024)
摘要
Two-dimensional (2D) materials that exhibit spontaneous magnetization,
polarization or strain (referred to as ferroics) have the potential to
revolutionize nanotechnology by enhancing the multifunctionality of nanoscale
devices. However, multiferroic order is difficult to achieve, requiring
complicated coupling between electron and spin degrees of freedom. We propose a
universal method to engineer multiferroics from van der Waals magnets by taking
advantage of the fact that changing the stacking between 2D layers can break
inversion symmetry, resulting in ferroelectricity and possibly magnetoelectric
coupling. We illustrate this concept using first-principles calculations in
bilayer NiI_2, which can be made ferroelectric upon rotating two adjacent
layers by 180^∘ with respect to the bulk stacking. Furthermore, we
discover a novel multiferroic order induced by interlayer charge transfer which
couples the interlayer spin order and electronic polarization. Our approach is
not only general but also systematic, and can enable the discovery of a wide
variety of 2D multiferroics.
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