Gk. Wertheim et Dne. Buchanan, COMPARISON OF PHOTOEMISSION AND RESISTIVITY IN ALKALINE-EARTH COMPOUNDS OF C-60, Journal of physics and chemistry of solids, 56(5), 1995, pp. 745-749
Photoemission spectra of CaxC60, SrxC60, and BaxC60 show successive fi
lling of the t(lu)-derived LUMO and the t(lg)-derived LUMO + 1 bands,
for 0 < x < 6. For x < 2 compounds of Ca and Ba exhibit a well defined
Fermi cut-off; compounds of Sr do not. In this range of composition,
the resistivity remains activated, suggesting that the metallic charac
ter in photoemission is due to a surface phase. Stoichiometric compoun
ds with formula A(3)C(60) differ in both structure and electronic prop
erties. The Ca compound retains the fee stacking of C-60 and is an ins
ulator. The Sr compound transforms partially to the A15 structure but
remains an insulator. The Ba compound has the A15 structure and is wea
kly metallic. For 3 < x < 6 metallic behavior is weak in the Ca and Sr
compounds, but well defined in the Ba compound, indicating that the L
UMO + 1 band is filled progressively by Ba. This is in accord with the
superconductivity of these systems, which is found in compounds with
x near 5, when the Fermi level is in the t(lg) band.