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Shake-up effects and intermolecular tunneling in C60 ions

F. Guinea, J. González, and M. A. H. Vozmediano
Phys. Rev. B 50, 5752(R) – Published 15 August 1994
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Abstract

The multiplet structure induced by the Coulomb interactions in C60n (n=1–12) is analyzed. The lowest partially occupied molecular orbital gives rise to a set of levels that fill a relatively wide band (≊2–3 eV). A large (∼1 eV) intramolecular effective repulsion is found. The anions are also shown to be highly polarizable. The optical-absorption and photoemission spectra are calculated. The probability of exciting the molecule upon the addition or removal of one electron is shown to be significant, and this effect may give rise to the insulating behavior of K4C60. The role of intermolecular interactions in suppressing the net repulsion within the C60 molecules is discussed.

    DOI:https://doi.org/10.1103/PhysRevB.50.5752

    ©1994 American Physical Society

    Authors & Affiliations

    F. Guinea

    • Instituto de Ciencia de Materiales, Consejo Superior de Investigaciones Científicas, Cantoblanco, 28049 Madrid, Spain

    J. González

    • Instituto de Estructura de la Materia, Consejo Superior de Investigaciones Científicas, Serrano 123, 28006 Madrid, Spain

    M. A. H. Vozmediano

    • Escuela Politécnica Superior, Universidad Carlos III, Butarque 15, Leganés, 28913 Madrid, Spain

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    Issue

    Vol. 50, Iss. 8 — 15 August 1994

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