Shell model extension to the valence force field: application to single-layer black phosphorus-Reference-Cited by-同舟云学术

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

Published:2019 Issue:1 Volume:21 Page:322-328
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hackney Nicholas W.¹²³⁴,Tristant Damien¹²³⁴,Cupo Andrew¹²³⁴^ORCID,Daniels Colin¹²³⁴^ORCID,Meunier Vincent¹²³⁴^ORCID

Affiliation:

1. Department of Physics, Applied Physics, and Astronomy

2. Rensselaer Polytechnic Institute

3. Troy

4. USA

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.

Funder

National Science Foundation

Office of Naval Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP05923C

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