Valence-force model and nanomechanics of single-layer phosphorene
Journal article, 2016

In order to understand the relation of strain and material properties, both a microscopic model connecting a given strain to the displacement of atoms, and a macroscopic model relating applied stress to induced strain, are required. Starting from a valence-force model for black phosphorous [Kaneta et al., Solid State Communications, 1982, 44, 613] we use recent experimental and computational results to obtain an improved set of valence-force parameters for phosphorene. From the model we calculate the phonon dispersion and the elastic properties of single-layer phosphorene. Finally, we use these results to derive a complete continuum model, including the bending rigidities, valid for long-wavelength deformations of phosphorene. This continuum model is then used to study the properties of pressurized suspended phosphorene sheets.

Author

Daniel Midtvedt

Chalmers, Physics, Biological Physics

Alexander Croy

Max Planck Institute

Physical Chemistry Chemical Physics

1463-9076 (ISSN) 1463-9084 (eISSN)

Vol. 18 33 23312-23319

Subject Categories

Other Chemistry Topics

DOI

10.1039/c6cp04361e

More information

Latest update

2/21/2018