Origin of the photoemission intensity oscillation of C60

Shinji Hasegawa, Takayuki Miyamae, Kyuya Yakushi, Hiroo Inokuchi, Kazuhiko Seki, and Nobuo Ueno
Phys. Rev. B 58, 4927 – Published 15 August 1998
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Abstract

The photon-energy dependences of photoemission intensities of C60 were quantitatively calculated by the single-scattering approximation for the final state and the ab initio molecular orbital calculation for the initial state. The calculated results agreed well with the measured intensity oscillation in the photon-energy range of hν=18110eV. The calculation by the plane-wave approximation for the final state also gave similar oscillations, which suggests that the oscillations are independent of the accuracy of the final state. These results indicated that the oscillations originate from the interference of photoelectron waves emanating from the 60 carbon atoms, i.e., the multicentered photoemission with the phase difference of each wave. Further, the analytical calculation with a simplified spherical-shell-like initial state revealed that the spherical structure of C60 molecule and its large radius dominate the oscillations.

  • Received 17 December 1997

DOI:https://doi.org/10.1103/PhysRevB.58.4927

©1998 American Physical Society

Authors & Affiliations

Shinji Hasegawa, Takayuki Miyamae, Kyuya Yakushi, and Hiroo Inokuchi

  • Institute for Molecular Science, Myodaiji, Okazaki 444, Japan

Kazuhiko Seki

  • Department of Chemistry, Faculty of Science, Nagoya University, Nagoya 464-01, Japan

Nobuo Ueno*

  • Department of Materials Science, Faculty of Engineering, Chiba University, Inage-ku Chiba 263, Japan

  • *Present address: Institute for Molecular Science, Myodaiji, Okazaki 444, Japan.

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Issue

Vol. 58, Iss. 8 — 15 August 1998

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