Theory of Spontaneous Polarization of Endohedral Fullerenes
Dennis P. Clougherty, Frederick G. Anderson
Abstract
A pseudo-Jahn-Teller model describing central atom distortions is proposed for endohedral fullerenes of the form A@C60 where A is either a rare gas or a metal atom. A critical (dimensionless) coupling gc is found, below which the symmetric configuration is stable and above which inversion symmetry is broken. Vibronic parameters are given for selected endohedral fullerenes.
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