Coexistence of ferromagnetism and ferroelectricity in a single 2D material is highly desirable for integration of multifunctional units in 2D material-based circuits. We report theoretical evidence of C6N8H organic network as being the first 2D organic multiferroic material with coexisting ferromagnetic and ferroelectric properties. The ferroelectricity stems from multimode proton-transfer within the 2D C6N8H network, in which a long-range proton-transfer mode is enabled by the facilitation of oxygen molecule when the network is exposed to the air. Such oxygen-assisted ferroelectricity also leads to a high Curie temperature and coupling between ferroelectricity and ferromagnetism. We also find that hydrogenation and carbon doping can transform the 2D g-C3N4 network from an insulator to an n-type/p-type magnetic semiconductor with modest bandgap. Akin to the dopant induced n/p channels in silicon wafer, a variety of dopant created functional units can be integrated into the g-C3N4 wafer by design for nanoelectronic applications.
ASJC Scopus subject areas
- Materials Science(all)
- Physical and Theoretical Chemistry