Half metal phase in the zigzag phosphorene nanoribbon

Abstract

Abstract Exploring half-metallic nanostructures is a crucial solution for developing high-performance spintronic devices. Black phosphorene is an emerging two-dimensional material possessing strong anisotropic band structure and high mobility. Based on the first principles calculations, we investigated the electronic and magnetic properties of zigzag phosphorene nanoribbons (ZPNRs) with three different functionalization groups (OH/CN, OH/NO 2 , NH 2 /NO 2 ) at the edges. We find that the interplay between edge functionalization and edge oxidation can induce the half metal phase in the ZPNRs, and the half metal phase can be controlled by the external transverse in-plane electric field and the proportion of the functional groups and edge oxidation. The results may pave a new way to construst nanoscale spintronic devices based on black phosphorene nanoribbons.