FORCE CONSTANT MATRICES FROM KEATING INTERATOMIC POTENTIAL: APPLICATION TO GRAPHENE

Alexandr COCEMASOV Moldova State University

Abstract

Based on the Keating interatomic potential an analytical derivation of force constant matrices of two- and threebody interactions in crystals is performed. Using the derived force constant matrices the in-plane phonon energy spectra of graphene was calculated in the framework of a lattice dynamics theory. A reasonable agreement with experimental data was obtained. The results can extend the applicability of the current force constant models for investigation of crystal dynamics. Keywords: force constant matrices, Keating potential, graphene, phonons, crystal dynamics.