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

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.

Document Details

Document Type
Pub Defense Publication
Publication Date
Jan 01, 2019
Source ID
10.1039/c8cp05923c

Entities

People

  • Andrew Cupo
  • Colin Daniels
  • Damien Tristant
  • Nicholas W. Hackney
  • Vincent Meunier

Organizations

  • National Science Foundation
  • Office of Naval Research
  • Rensselaer Polytechnic Institute
  • Troy University
  • United States Army

Tags

Fields of Study

  • Physics

Readers

  • Computational Modeling and Simulation
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.
  • Structural Dynamics.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene