Erio Tosatti (a), Nicola Manini (a), and O. Gunnarsson (b)
(a) S.I.S.S.A., Via Beirut 4, I-34013 Trieste, Italia
(b) Max-Planck-Institut für Festkörperforschung, Stuttgart
We calculate the magnetic susceptibility and g-factor of the isolated C60- ion at zero temperature, with a proper treatment of the dynamical Jahn-Teller effect, and of the associated orbital angular momentum, Ham-reduced gyromagnetic ratio, and molecular spin-orbit coupling.A number of surprises emerge. First, the predicted molecular spin-orbit splitting is very small, two orders of magnitude smaller than in the bare carbon atom, due to the large radius of curvature of the molecular orbit. Second, this reduced spin-orbit splitting is now wholly comparable to Zeeman energies, for instance, in X-band EPR at 3.39KGauss. Hence, a field dependence of the g-factor is predicted. Third, we find that the orbital gyromagnetic factor is strongly reduced by vibron coupling, and so therefore are the effective weak-field g-factors of all low-lying states. In particular, the ground state of C60- is predicted to show a negative g-factor of ~-0.1.
Phys. Rev. B 54, 17184 (1996).
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