Two-dimensional multifunctional materials from endohedral fullerenes

A multifunctional two-dimensional (2D) material is theoretically predicted based on systematic ab initio calculations and model simulations for the honeycomb lattice of endohedral fullerene $\mathrm{W}@{\mathrm{C}}_{28}$ 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 $\mathrm{Mn}\mathrm{Ti}{\mathrm{O}}_{3}$. Furthermore, we may also manipulate the valley Hall and spin transport properties by selectively switching a few $\mathrm{W}@{\mathrm{C}}_{28}$ molecules to the metastable phase. These findings contribute to integrating different functions in a single 2D material for technological innovations.