AI 中文总结
研究人员以双层hBN为体系，提出将空位局域磁性与界面滑动铁电性耦合的范式，通过第一性原理计算发现缺陷选择性可稳定磁构型，电场可调控极性配位数，实现多铁性功能的堆垛调控。
AI 中文摘要
我们提出一种通用范式，将空位局域磁性与非磁性范德华（vdWs）双层中的界面滑动铁电性直接耦合。以双层六方氮化硼（hBN）作为典型vdWs宿主体系，我们通过第一性原理计算表明，单个空位可作为局域配位数传感器，通过缺陷中心的极化偏移打破极性滑动对之间的简并性。对于层间空位对，我们发现一种缺陷选择性，即宿主亚晶格完全决定层间交换作用，稳定亚铁磁或反铁磁构型。施加面外电场可选择极性配位数，并驱动补偿奈尔序参量的振幅调制。这些发现确立了一类鲁棒的、亚晶格依赖的多铁性功能工程，可通过堆垛调控在广泛的非磁性二维异质结中实现。
英文摘要
We present a general paradigm that directly couples vacancy-localized magnetism to interfacial sliding ferroelectricity in nonmagnetic van der Waals (vdWs) bilayers. Utilizing bilayer hexagonal boron nitride (hBN) as a prototypical vdWs host system, we use first-principles calculations to show that a single vacancy acts as a local registry sensor, lifting the degeneracy between polar sliding partners via a defect-centered polarization offset. For interlayer vacancy pairs, we discover a defect selectivity where the hosting sublattice fully dictates the interlayer exchange, stabilizing either ferrimagnetic or antiferromagnetic configurations. Applying an out-of-plane electric field selects the polar registry and drives an amplitude modulation of the compensated Néel order parameter. These findings establish a robust, sublattice-dependent engineering of multiferroic functionality via stacking control across a wide class of nonmagnetic 2D heterostructures.
Comments15 pages, 4 figures
