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Valence force field model for graphene and fullerenes

Valence force field model for graphene and fullerenes
Valence force field model for graphene and fullerenes
We present two Valence Force Field models for sp(2) bonded carbon sheets with three and five parameters adjusted to the phonon frequencies of graphite. The transferability of the force constants is checked for the vibrations of C-60, where we compare our results to other theoretical and experimental results.
0178-7683
159-164
Lobo, C.
cde7843a-c00b-4242-a8cd-1abb2dfe0703
Martins, J.
4cfdd015-3056-4e7f-8e7e-5bca4fd19022
Lobo, C.
cde7843a-c00b-4242-a8cd-1abb2dfe0703
Martins, J.
4cfdd015-3056-4e7f-8e7e-5bca4fd19022

Lobo, C. and Martins, J. (1997) Valence force field model for graphene and fullerenes. Zeitschrift für Physik D: Atoms, Molecules and Clusters, 39 (2), 159-164. (doi:10.1007/s004600050123).

Record type: Article

Abstract

We present two Valence Force Field models for sp(2) bonded carbon sheets with three and five parameters adjusted to the phonon frequencies of graphite. The transferability of the force constants is checked for the vibrations of C-60, where we compare our results to other theoretical and experimental results.

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Published date: 1997
Organisations: Applied Mathematics

Identifiers

Local EPrints ID: 205943
URI: https://eprints.soton.ac.uk/id/eprint/205943
ISSN: 0178-7683
PURE UUID: c52445d0-d006-49b3-bb9c-c03ce41cdce2
ORCID for C. Lobo: ORCID iD orcid.org/0000-0001-7060-3905

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Date deposited: 15 Dec 2011 09:22
Last modified: 06 Jun 2018 12:35

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