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

@article{Jiang2015ParametrizationOS,
  title={Parametrization of Stillinger-Weber potential based on valence force field model: application to single-layer MoS2 and black phosphorus.},
  author={Jin-Wu Jiang},
  journal={Nanotechnology},
  year={2015},
  volume={26 31},
  pages={315706}
}
We propose parametrizing the Stillinger-Weber potential for covalent materials starting from the valence force-field model. All geometrical parameters in the Stillinger-Weber potential are determined analytically according to the equilibrium condition for each individual potential term, while the energy parameters are derived from the valence force-field model. This parametrization approach transfers the accuracy of the valence force field model to the Stillinger-Weber potential. Furthermore… CONTINUE READING
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