论文标题
在散装半导体底物上，双层CRI3中的高温特性铁电磁作用
High-Curie-temperature ferromagnetism in bilayer CrI3 on bulk semiconducting substrates
论文作者
论文摘要
长期以来，已经为电子和旋转型应用追求了高居里温度的二维（2D）铁磁（FM）半导体。在这里，我们提供了一种一般策略，可以在单斜堆积的双层CRI3中实现强大的FM状态，该堆叠本质上具有层间抗铁磁（AFM）阶（AFM）和弱平面内FM耦合。我们表明，大量半导体底物的接近效应会诱导电子掺杂，并显着增加FM最近的双层CRI3的FM最近的邻邻交换，从而导致AFM-to-fm the AFM-to-fm the Interalayer Spin构型以及增强的内在FM coupling。通过第一原理的计算和蒙特卡洛模拟，比较了从较强的共价键到弱范德华（VDW）与CRI3相互作用的相互作用强度不同的体积和2D半导体，以彻底解决底物对Birayer Cri3的磁性行为和质量的底物影响。这些理论结果为在适当的半导体底物上直接合成2D铁磁体提供了轻松的途径，以实现高居里温度以实现设备。
Two-dimensional (2D) ferromagnetic (FM) semiconductors with high Curie temperature have long been pursued for electronic and spintronic applications. Here we provide a general strategy to achieve robust FM state in bilayer CrI3 of the monoclinic stacking, which intrinsically has interlayer antiferromagnetic (AFM) order and weak in-plane FM coupling. We showed that the proximity effect from bulk semiconducting substrates induces electronic doping and significantly increases the FM nearest-neighbor exchange for bilayer CrI3, leading to the AFM-to-FM transition for the interlayer spin configuration as well as enhanced intralayer FM coupling. By first-principles calculations and Monte Carlo simulations, bulk and 2D semiconductors providing different interaction strengths from strong covalent bonding to weak van der Waals (vdW) interaction with CrI3 are compared to thoroughly address the substrate effect on magnetic behavior and Curie temperature of bilayer CrI3. These theoretical results offer a facile route for direct synthesis of 2D ferromagnets on proper semiconducting substrates to achieve high Curie temperature for device implementation.
