Vibrational modes and low-temperature thermal properties of graphene and carbon nanotubes: Minimal force-constant model

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

Beitragende

  • Janina Zimmermann - , Fraunhofer-Gesellschaft, Universität Regensburg (Autor:in)
  • Pasquale Pavone - , Universität Regensburg (Autor:in)
  • Gianaurelio Cuniberti - , Professur für Materialwissenschaft und Nanotechnik, Universität Regensburg, Justus-Liebig-Universität Gießen, Technische Universität Dresden, Österreichische Akademie der Wissenschaften, Leibniz-Institut für Polymerforschung Dresden (Autor:in)

Abstract

We present a phenomenological force-constant model developed for the description of lattice dynamics of sp(2) hybridized carbon networks. Within this model approach, we introduce a set of parameters to calculate the phonon dispersion of graphene by fitting the ab initio dispersion. Vibrational modes of carbon nanotubes are obtained by folding the two-dimensional (2D) dispersion of graphene and applying special corrections for the low-frequency modes. Particular attention is paid to the exact dispersion law of the acoustic modes, which determine the low-frequency thermal properties and reveal quantum size effects in carbon nanotubes. On the basis of the resulting phonon spectra, we calculate the specific heat and the thermal conductance for several achiral nanotubes of different diameters. Through the temperature dependence of the specific heat, we demonstrate that phonon spectra of carbon nanotubes show one-dimensional behavior and that the phonon sub-bands are quantized at low temperatures. Consequently, we prove the quantization of the phonon thermal conductance by means of an analysis based on the Landauer theory of heat transport.

Details

OriginalspracheEnglisch
Aufsatznummer045410
Seitenumfang13
FachzeitschriftPhysical Review B
Jahrgang78
Ausgabenummer4
PublikationsstatusVeröffentlicht - Juli 2008
Peer-Review-StatusJa

Externe IDs

Scopus 47349130603

Schlagworte

Schlagwörter

  • Surface phonon-dispersion, Raman-scattering, Lattice-dynamics, Conductance, Graphite, Quantum, Heat, Conductivity, Wires