Directional-dependent thickness and bending rigidity of phosphorene

Deepti Verma, Benjamin Hourahine, Thomas Frauenheim, Richard D. James, Traian Dumitrică

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)
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The strong mechanical anisotropy of phosphorene combined with the atomic-scale thickness challenges the commonly employed elastic continuum idealizations. Using objective boundary conditions and a density functional-based potential, we directly uncover the flexibility of individual α, β and γ phosphorene allotrope layers along an arbitrary bending direction. A correlation analysis with the in-plane elasticity finds that although a monolayer thickness cannot be defined in the classical continuum sense, an unusual orthotropic plate with a directional-dependent thickness can unambiguously describe the out-of-plane deformation of α and γ allotropes. Such decoupling of the in-plane and out-of-plane nanomechanics might be generic for two-dimensional materials beyond graphene.
Original languageEnglish
Article number121404(R)
Number of pages5
JournalPhysical Review B (Condensed Matter)
Issue number12
Publication statusPublished - 13 Sep 2016


  • phosphorene
  • atomic-scale thickness
  • nanomechanics


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