Directional-dependent thickness and bending rigidity of phosphorene

Verma, Deepti and Hourahine, Benjamin and Frauenheim, Thomas and James, Richard D. and Dumitrică, Traian (2016) Directional-dependent thickness and bending rigidity of phosphorene. Physical Review B (Condensed Matter), 94 (12). 121404(R). ISSN 0163-1829 (https://doi.org/10.1103/PhysRevB.94.121404)

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Abstract

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.

ORCID iDs

Verma, Deepti, Hourahine, Benjamin ORCID logoORCID: https://orcid.org/0000-0002-7667-7101, Frauenheim, Thomas, James, Richard D. and Dumitrică, Traian;
  • Item type:Article
    ID code:57606
    Dates:
    Date
    Event
    13 September 2016
    Published
    24 August 2016
    Accepted
    Notes:© 2016 American Physical Society.
    Subjects:Science > Physics
    Department:Faculty of Science > Physics
    Depositing user: Pure Administrator
    Date deposited:31 Aug 2016 14:10
    Last modified:11 Nov 2024 11:30
    URI:https://strathprints.strath.ac.uk/id/eprint/57606
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