Theory and experiment on Na(x)C(60) agree that there is an anomalous trend as well as a limitation in the charge transfer from the sodiums to C(60), for x>6. As revealed by both ab-initio calculations and electron energy loss spectroscopy, the origin lies in the formation of interstitial states that trap a part of the excess electrons and that are neither C(60)- nor sodium-derived. This may well be a general characteristic of heavily doped intercalated fullerides and other cluster-based solid compounds.
By: Wanda Andreoni, Paolo Giannozzi (Scuola Normale Superiore, Italy), Johannes F. Armbruster (Inst. fuer Nukleare Festkoerperphysik, Germany), Martin Knupfer (Inst. fuer Festkoerperforschung, Germany) and Joerg Fink (Inst. fuer Festkoerperforschung, Germany)
Published in: Europhysics Letters, volume 34, (no 9), pages 699-704 in 1996
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