Experimental studies on two-dimensional (2D) materials are still in the early stages, and most of theoretical performed to screen these limited room-temperature carrier mobility free-standing 2D layers. With dimensions devices moving toward nanometer-scale lengths, mobility—an equilibrium concept—may not be main quantity that controls performance based materials, since electronic transport occu...

The magnetic properties of black phosphorene nanoribbons are investigated using static and dynamical mean-field theory. Besides confirming the existence ferromagnetic/antiferromagnetic edge magnetism, our detailed calculations large unit cells find a phase transition at weak interaction strength to an incommensurate (IC) phase. A Fourier analysis magnetization patterns in IC shows second critic...

FIG.1. Calculated electron density difference ∆ρ=ρtot(bulk)−Σρtot(monolayers) representing the charge redistribution caused by assembling the bulk structure from isolated monolayers. (a) Diffusion Monte Carlo (DMC) isosurfaces bounding regions of excess electron density (dark brown) and electron deficiency (light brown), with respective values ±6.5×10 e/Å. (b) <∆ρ(z)> for DMC and selected DFT f...