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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 1(21), p. 322-328, 2019

DOI: 10.1039/c8cp05923c

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Shell model extension to the valence force field: application to single-layer black phosphorus

Journal article published in 2019 by Nicholas W. Hackney, Damien Tristant, Andrew Cupo ORCID, Colin Daniels ORCID, Vincent Meunier ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

We propose an extension of the traditional valence force field model to allow for the effect of electronic polarization to be included in the inter-atomic potential.