Sl. Molodtsov et al., ELECTRONIC-STRUCTURE OF EU AND YB GRAPHITE-INTERCALATION COMPOUNDS, Physical review. B, Condensed matter, 53(24), 1996, pp. 16621-16630
An angle-resolved photoemission (PE) study is performed on graphite in
tercalation compounds (GIC's) with Eu and Yb prepared in situ by depos
ition of the pure metals onto single-crystalline graphite (0001) surfa
ces and subsequent annealing. The low-energy-electron-diffraction patt
erns reveal a sharp (root 3 x root 3)R30 degrees overstructure as obse
rved for other rare-earth (RE) and alkali GIC's. The PE data are in ex
cellent agreement with local-density-approximation band-structure calc
ulations for stage-2 GIC's that indicate charge transfer of about 0.5
electrons per RE atom into graphite-derived states of pi symmetry. Thi
s charge transfer is caused by an energetical lowering of the graphite
-derived pi bands and leads to the appearance of an intense Fermi-leve
l structure in the PE spectra taken around the K(Gamma') point of the
Brillouin zone. Admixtures of rare-earth-derived d states are found cl
ose to the Fermi energy in the region of the Gamma and the M' points.