论文标题
通过自我解微足的CRI3双层增强的铁磁性
Enhanced Ferromagnetism of CrI3 Bilayer by Self-Intercalation
论文作者
论文摘要
长期以来，二维（2D）铁磁体长期以来一直是对电子和自旋应用的追求。 CRI3是固有2D铁磁体的后起之秀，但是它遭受了较弱的交换耦合。在这里，我们提出了一种自我交流的一般策略，以实现双层CRI3中增强的铁磁性。我们表明，将Cr或I原子填充到堆叠和扭曲的CRI3双层的范德华间隙中可以诱导双重交换效果，并显着增强层间层铁磁性耦合。根据我们的第一原理计算，插入的天然原子充当两个CRI3层之间的共价桥，并导致CR原子的差异氧化态。这些理论结果提供了一条轻松的途径，以实现用于实现设备的高温2D磁铁。
Two-dimensional (2D) ferromagnets with high Curie temperature have long been the pursuit for electronic and spintronic applications. CrI3 is a rising star of intrinsic 2D ferromagnets, however, it suffers from weak exchange coupling. Here we propose a general strategy of self-intercalation to achieve enhanced ferromagnetism in bilayer CrI3. We showed that filling either Cr or I atoms into the van der Waals gap of stacked and twisted CrI3 bilayers can induce the double exchange effect and significantly strengthen the interlayer ferromagnetic coupling. According to our first-principles calculations, the intercalated native atoms act as covalent bridge between two CrI3 layers and lead to discrepant oxidation states for the Cr atoms. These theoretical results offer a facile route to achieve high-Curie-temperature 2D magnets for device implementation.
