Size Limiting Elemental Ferroelectricity in Bi Nanoribbons: Observation, Mechanism, and Opportunity

Abstract

Combined with the inherent spin-orbital coupling effect, the elemental ferroelectricity of monolayer Bi (bismuthene) is the critical property that renders this system a 2D ferroelectric topological insulator. Here, using first-principles calculations, we systematically investigate the ferroelectric polarization in bismuthene nanoribbons and discover the width size limiting effect arising from the edge effects. The decreasing width led to the spontaneous transformation of the zigzag (ZZ) and armchair (AC) paired Bi nanoribbons into newly discovered high-symmetric nonpolarized nanoribbons. For ZZ-paired nanoribbons, the driving force of the phase transition is attributed to the depolarization field, similar to the conventional perovskite ferroelectric thin films. Instead, edge stress as a novel mechanism played a major role in the phase transition of AC-paired nanoribbons. Inspired by such a revealed mechanism, the phase transition and related ultrahigh piezoelectricity can be achieved by strain engineering in Bi nanoribbons, which could enable new applications for 2D ferroelectric devices.