Phys. Rev. B 57, 7335–7339 (1998)Point-ion approximation within the March model for the fullerene moleculeReceived 17 September 1997; published in the issue dated 15 March 1998 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. © 1998 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.57.7335
DOI:
10.1103/PhysRevB.57.7335
PACS:
31.15.Bs, 36.40.Qv, 31.10.+z
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