Electronic Properties and Mechanical Strength of β- Phosphorene Nano-ribbons

Abstract

We have performed first principles calculations to find out the effect of mechanical strain on the electronic of zig-zag edged nano ribbons of β-phosphorene. It is found that electronic get opened-up to 2.61 eV by of the edges of ribbons. Similarly, the mechanical strength is found to be increase from 1.75 GPa to 2.65 GPa on going from unpassivated nano ribbons to passivated ones along with the 2% increase in ultimate tensile strain. The value of passivated ribbon gets decreased to 0.43 eV on applying strain up to which the ribbon does not break. These tunable of β-phospherene with with H-atom and applying mechanical strain offer its use in tunable nano electronics.