Bandstructure and Size-Scaling Effects in the Performance of Monolayer Black Phosphorus Nanodevices.

Nanodevices based on monolayer black phosphorus or phosphorene are promising for future electron devices in high density integrated circuits. We investigate bandstructure and size-scaling effects in the electronic and transport properties of phosphorene nanoribbons (PNRs) and the performance of ultra-scaled PNR field-effect transistors (FETs) using advanced theoretical and computational approaches. Material and device properties are obtained by non-equilibrium Green's function (NEGF) formalism combined with a novel tight-binding (TB) model fitted on ab initio density-functional theory (DFT) calculations. We report significant changes in the dispersion, number, and configuration of electronic subbands, density of states, and transmission of PNRs with nanoribbon width (