论文标题
来自内膜富勒烯的二维多功能材料
Two-Dimensional Multifunctional Materials from Endohedral Fullerenes
论文作者
论文摘要
理论上，基于系统的AB-Initio计算和模型模拟，用于内膜富勒烯W@C28分子的蜂窝晶格，从理论上预测了一种新的多功能2D材料。它具有结构性的双重性，铁电性，多个磁相和出色的山谷特征，并且可以通过磁性隔离器（例如MNTIO3）的接近效应来轻松官能化。此外，我们还可以通过选择性将几个W@C28分子切换到亚稳态相处来操纵山谷大厅和自旋传输特性。这些发现铺平了一种新的方式，以将不同的功能整合到单个2D材料中以进行技术创新。
A new multifunctional 2D material is theoretically predicted based on systematic ab-initio calculations and model simulations for the honeycomb lattice of endohedral fullerene W@C28 molecules. It has structural bistability, ferroelectricity, multiple magnetic phases, and excellent valley characters and can be easily functionalized by the proximity effect with magnetic isolators such as MnTiO3. Furthermore, we may also manipulate the valley Hall and spin transport properties by selectively switch a few W@C28 molecules to the metastable phase. These findings pave a new way in integrate different functions in a single 2D material for technological innovations.
