SHAKE-UP EFFECTS AND INTERMOLECULAR TUNNELING IN C-60 IONS

Note

关键词: SOLID C-60;    PHOTOEMISSION;    FULLERENE;    COULOMB;    STATES;    BUCKMINSTERFULLERENE;    GAP;   

DOI  :  10.1103/PhysRevB.50.5752

来源: SCIE

【 摘 要 】

The multiplet structure induced by the Coulomb interactions in C60 n- (n = 1-12) is analyzed. The lowest partially occupied molecular orbital gives rise to a set of levels that fill a relatively wide band (almost-equal-to 2-3 eV). A large (approximately 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.

【 授权许可】

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