Photoelectron spectra calculations of N@C60 molecules on a crystalline Si surface

The shapes of the angular distributions of electrons photoejected from the $1s$ level of atomic N encapsulated within a fullerene cage have been calculated for $\mathrm{N}\mathrm{@}{\mathrm{C}}_{60}$ adsorbed on a Si (100) crystal surface. Two possible schemes of experimental arrangements have been considered. The first involves the measurement of the photoelectron spectra as a function of the polar angle for fixed azimuthal angle. The second scheme studies the dependence of the spectra on the azimuthal angle. It is shown that in both types of experiments the shape of the photoelectron angular distribution is extremely sensitive to both the molecular location on the crystal surface and the orientation of the molecular axis of the fullerene cage relative to crystallographic directions. Therefore, the study of photoelectron spectra can, in principle, be used for diagnostics of the position of the fullerenelike molecule on a crystal surface.

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