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Theory of Spontaneous Polarization of Endohedral Fullerenes

Dennis P. Clougherty·Frederick G. Anderson
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Abstract

A pseudo-Jahn-Teller model describing central atom distortions is proposed for endohedral fullerenes of the form A@C$_{60}$ where A is either a rare gas or a metal atom. A critical (dimensionless) coupling $g_c$ 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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Dennis P. Clougherty, Frederick G. Anderson. 1998-03-31. Theory of Spontaneous Polarization of Endohedral Fullerenes. https://doi.org/10.1103/physrevlett.80.3735

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