Anisotropic Young's Modulus for Single-Layer Black Phosphorus: The Third Principle Direction Besides Armchair and Zigzag

Abstract

We derive an analytic formula for the Young's modulus in single-layer black phosphorus using the valence force field model. By analyzing the directional dependence for the Young's modulus, we explore the third principle direction with direction angle phi_tp = 0.268pi besides armchair and zigzag directions. The maximum Young's modulus value is in the third principle direction. More specifically, the Young's modulus is 52.2 N/m, 85.4 N/m, and 111.4 N/m in the armchair direction, zigzag direction, and the third principle direction, respectively. This new principle direction is of significance for future discussions of other anisotropic properties in the single-layer black phosphorus.