Comment on 'Parametrization of Stillinger-Weber potential based on a valence 
force field model: application to single-layer MoS2 and black phosphorus'

Midtvedt, Daniel; Croy, Alexander

doi:10.1088/0957-4484/27/23/238001

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Comment on 'Parametrization of Stillinger-Weber potential based on a valence force field model: application to single-layer MoS₂ and black phosphorus'

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Midtvedt, Daniel
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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Croy, Alexander
Max Planck Institute for the Physics of Complex Systems, Max Planck Society;

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http://iopscience.iop.org/article/10.1088/0957-4484/27/23/238001/meta
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Citation

Midtvedt, D., & Croy, A. (2016). Comment on 'Parametrization of Stillinger-Weber potential based on a valence force field model: application to single-layer MoS₂ and black phosphorus'. Nanotechnology, 27(23): 238001. doi:10.1088/0957-4484/27/23/238001.

Cite as: https://hdl.handle.net/11858/00-001M-0000-002A-E9C7-8

Abstract

We compare the simplified valence-force model for single-layer black phosphorus with the original model and recent ab initio results. Using an analytic approach and numerical calculations we find that the simplified model yields Young's moduli that are smaller compared to the original model and are almost a factor of two smaller than ab initio results. Moreover, the Poisson ratios are an order of magnitude smaller than values found in the literature.