Mechanical properties of single-layer black phosphorus

2014/08/28 by Jin-Wu Jiang, Harold S Park · 12 citations
Materials Science · #2D Materials and Applications #Heusler alloys: electronic and magnetic properties #Boron and Carbon Nanomaterials Research

paper · doi:10.1088/0022-3727/47/38/385304

Abstract

The mechanical properties of single-layer black phosphrous under uniaxial deformation are investigated using first-principles calculations. Both Young's modulus and the ultimate strain are found to be highly anisotropic and nonlinear as a result of its quasi-two-dimensional puckered structure. Specifically, the in-plane Young's modulus is 44.0 GPa in the direction perpendicular to the pucker, and 92.7 GPa in the parallel direction. The ultimate strain is 0.48 and 0.20 in the perpendicular and parallel directions, respectively.

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