Mechanical Properties of Single-Layer Black Phosphorus

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.

Journal of Physics D: Applied Physics, accepted

References in corpus (2)

• Young's modulus of Graphene: a molecular dynamics study
• Elastic and non-linear stiffness of graphene: a simple approach

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• Anisotropic buckling of few-layer black phosphorus
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