A model for flexural phonon dispersion in graphite and graphene

TL;DR

This paper introduces a simple dipolar model for flexural phonons in graphite and graphene, accurately fitting experimental data and capturing phenomena like phase transitions, with potential applications in electron-phonon interaction studies.

Contribution

The paper presents a novel, analytically tractable model for flexural phonons that incorporates long-range dipolar interactions and fits experimental data with a single adjustable parameter.

Findings

Model accurately fits experimental dispersion curves.

Predicts instability leading to graphite-diamond transition.

Provides a basis for studying electron-phonon interactions.

Abstract

A simple model for flexural phonons in graphite (and graphene, corresponding to the limiting case of infinite distance between carbon planes) is proposed, in which the local dipolar moment is assumed to be proportional to the curvature of the carbon sheets. Explicit expressions for dispersion curves with full account for the long-range dipolar interaction forces are given and fitted to the experimental data using a single adjustable parameter of the theory. This parameter is expected to depend on the ground state configuration of molecular $\pi$-orbitals, the same both for graphite and for graphene. At decreasing carbon sheet separation (high pressures) the phonon spectrum displays instability, corresponding to the graphite to diamond transition. Being explicitly based on the local dipolar moments, the proposed simple model could prove useful for considering electron-phonon interaction.