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Phys. Rev. B 44, 1966–1969 (1991)

Band dispersion and empty electronic states in solid C60: Inverse photoemission and theory

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M. B. Jost, N. Troullier, D. M. Poirier, José Luís Martins, and J. H. Weaver
Department of Materials Science and Chemical Engineering, University of Minnesota, Minneapolis, Minnesota 55455

L. P. F. Chibante and R. E. Smalley
Rice Quantum Institute and Departments of Chemistry and Physics, Rice University, Houston, Texas 77251

Received 22 February 1991; published in the issue dated 15 July 1991

Inverse-photoemission studies of the empty electronic states of solid C60 show ten features within 15 eV of the lowest empty state. Pseudopotential calculations identify the character of the empty states. Band calculations for fcc C60 demonstrate that dispersion of some of the states, due to intermolecular interaction, reproduces experimental results. Intensity variations of experimental features with incident electron energy reflect their π and σ character as well as their symmetries. Resonant coupling is observed between the inverse-photoemission decay channel involving the third feature and the radiative decay of a plasmon.

© 1991 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.44.1966
DOI:
10.1103/PhysRevB.44.1966
PACS:
31.20.Sy, 73.20.At, 79.60.-i