Immunity of electronic and transport properties of phosphorene nanoribbons to edge defects

Abstract

We present an extensive study of the electronic properties and carrier transport in phosphorene nanoribbons (PNRs) with edge defects by using rigorous atomistic quantum transport simulations. This study reports on the size- and defect-dependent scaling laws governing the transport gap, and the mean free path and carrier mobility in the PNRs of interest for future nanoelectronics applications. Our results indicate that PNRs with armchair edges (aPNRs) are more immune to defects than zig-zag PNRs (zPNRs), while both PNR types exhibit superior immunity to defects relative to graphene nanoribbons (GNRs). An investigation of the mean free path demonstrated that even in the case of a low defect density the transport in PNRs is diffusive, and the carrier mobility remains a meaningful transport parameter even in ultra-small PNRs. We found that the electron–hole mobility asymmetry (present in large-area phosphorene) is retained only in zPNRs for W > 4 nm, while in other cases the asymmetry is smoothed out by edge defect scattering. Furthermore, we showed that aPNRs outperform both zPNRs and GNRs in terms of carrier mobility, and that PNRs generally offer a superior mobility-bandgap trade-off, relative to GNRs and monolayer MoS2. This work identifies PNRs as a promising material for the extremely scaled transistor channels in future post-silicon electronic technology, and presents a persuasive argument for experimental work on nanostructured phosphorene.