Aa. Lucas et al., COMPUTATION OF THE ULTRAVIOLET-ABSORPTION AND ELECTRON INELASTIC-SCATTERING CROSS-SECTION OF MULTISHELL FULLERENES, Physical review. B, Condensed matter, 49(4), 1994, pp. 2888-2896
We develop a model in which the ultraviolet dielectric tenser of plana
r graphite is transported to the spherical geometry of a nanoscale mul
tishell fullerene with a central cavity. This is accomplished by assig
ning to every point of the multishell fullerene a local dielectric ten
ser identical to that of graphite with its c axis aligned along the lo
cal radial direction. The dynamic, multipolar polarizabilities of the
model fullerene are obtained from the exact solutions of the nonretard
ed Maxwell equations. The ultraviolet absorption spectrum of the hollo
w fullerene is calculated as a function of the ratio of the inner and
outer radii. Comparisons of the theoretical absorption spectra with th
e 2175-Angstrom interstellar extinction hump and with recent absorptio
n measurements for synthetic multishell fullerenes indicate that the d
ielectric properties of graphite are qualitatively adequate for unders
tanding the optical data. However, difficulties persist with both the
astrophysical and laboratory absorption peaks which lead us to conside
r the possible role of multishell fullerene aggregation into small or
large clusters. It is found that the effect of clustering is important
and reduces but does not remove completely the quantitative difficult
ies of the graphitic multishell model. Finally theoretical electron-en
ergy-loss spectra (EELS) of these structures with an empty or filled c
avity are calculated from the multipolar polarizabilities of the model
. The results indicate that spatially resolved EELS measurements shoul
d be ideally suited to study the dielectric properties of individual m
ultishell fullerenes and to ascertain to what extent they differ from
those of planar graphite.