Robust Intrinsic Multiferroicity in a FeHfSe3 Layer

As a consequence of the mutually exclusive origins of ferroelectricity and magnetism, multiferroic materials with electromagnetic coupling are rare. In this work, stable two-dimensional FeHfSe3 with experimental accessibility is however demonstrated to harbor robust electromagnetic coupling. FeHfSe3 illustrates spontaneous in-plane polarization of 1.29 × 10–10 C/m, and the energy barrier of 116.54 meV ensures easy switching and a high Curie temperature. In addition, semiconducting FeHfSe3 possesses a stable antiferromagnetic ground state with a Néel temperature of approximately 300 K. In the case of applying strain, ferroelectricity and magnetism coexist stably, and uniaxial tensile strain can effectively enhance the ferroelectricity.