Two-Dimensional Multifunctional Materials from Endohedral Fullerenes

TL;DR

This paper predicts a novel 2D material based on endohedral fullerenes with multifunctional properties like ferroelectricity, magnetism, and valley characteristics, enabling potential technological applications.

Contribution

It introduces a theoretically predicted 2D material with multifunctional properties derived from endohedral fullerenes, combining several functionalities in a single material.

Findings

Structural bistability and ferroelectricity demonstrated.

Multiple magnetic phases identified.

Valley and spin transport properties can be manipulated.

Abstract

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.