Point-ion approximation within the March model for the fullerene molecule

F. Despa

Research output: Contribution to journalArticle

15 Scopus citations

Abstract

We present an approach of the March model [N. H. March, Proc. Cambridge Philos. Soc. 48, 665 (1952)] for the fullerene molecule by employing a point-ion approximation. Accordingly, the model with which we shall be concerned is a high-density gas of π electrons in its ground state with a discrete positively charged background disposed in a t - icosahedral symmetry. The density of π electrons is derived within the first-order approximation of the perturbation theory and then Poisson's equation is solved analytically by imposing natural limits for the fullerene molecule. We have found both inside and outside the fullerene cage distinctive peaks for the electron distribution and a larger fraction of the π electrons contained inside the molecule. We must stress here that the other results recorded in a continuum positive charge approximation of the March model for the fullerene molecule predict that only less than half of all the π electrons are inside the shell.

Original languageEnglish (US)
Pages (from-to)7335-7339
Number of pages5
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number12
StatePublished - Mar 15 1998
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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