Understanding 2D Elemental Ferroelectrics

Abstract

Ferroelectricity, traditionally found in compound materials composed of multiple elements, has now been observed in elemental monolayers of group-V element (Bi) with buckled lattice structures similar to phosphorene. Through first-principles calculations, this study reveals spontaneous electric polarization and ferroelectricity in antimony 2D material, antimonene. The polarization was driven by spontaneous lattice distortions and atomic layer buckling as a consequence of weak sp3 orbital hybridization that breaks inversion-symmetry-breaking making an in-plane polarization. This work, broadens the understanding of ferroelectric mechanisms in group V elements and hope it would spark this line of research for future studies and potential applications in next-generation electronic and optical devices, emphasizing the unique properties and versatility of 2D elemental ferroelectrics.