Abstract
We calculate the spectral density for A3C60 based on the dynamical mean-field theory and compare our results with the experimental photoemission spectra. We show that the charge fluctuation occurs in A3C60 due to the competition between the electron-electron and electron-phonon interactions and consequently the material remains metallic although both interactions are considerably strong. The charge fluctuation in A3C60 means the resonance between C603−+C603− and C602−+C604− because these two states have almost the same energy. We find a satellite derived from the charge fluctuation in the spectral density for A3C60. It is pointed out that this satellite corresponds to the shoulder observed only for A3C60. Also, we find that the broadening of the lowest-unoccupied-molecular-orbital-derived band is originated in the multiplet splitting. Thus, our results can successfully explain the experimental photoemission spectra for K3C60 and Rb3C60.
Published Version
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