Photoelectron spectra calculations of N@C 60 molecules on a crystalline Si 
surface

Baltenkov, A. S.; Becker, Uwe; Manson, S. T.; Msezane, A. Z.

doi:10.1103/PhysRevB.73.075404

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

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Becker, Uwe
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Baltenkov, A. S., Becker, U., Manson, S. T., & Msezane, A. Z. (2006). Photoelectron spectra calculations of N@C₆₀ molecules on a crystalline Si surface. Physical Review B, 73, 075404-1-075404-8. doi:10.1103/PhysRevB.73.075404.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-057F-3

Abstract

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 N@C₆₀ 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.