Resonant processes and Coulomb interactions in (C59 N)2

K. Schulte, L. Wang, P. J. Moriarty, K. Prassides, N. Tagmatarchis

研究成果: Article査読

10 被引用数 (Scopus)

抄録

We have determined the on-site molecular Coulomb interaction energy U of a (C59 N)2 bulk film and find values ranging from 1.10±0.10 eV for the highest occupied molecular orbital to 1.35±0.10 eV for the deeper lying orbitals, comparable to values found in C60. The on-site Coulomb interaction between a carbon core hole and valence electrons, Uc, is, however, substantially lower than in C60 at 1.35±0.07 eV. Resonant photoemission (RESPES) results show a weakened participator decay channel, especially around the N 1s threshold, where resonance of the highest occupied molecular orbital shoulder is absent. Near-edge x-ray absorption fine structure and constant initial state measurements, taken in parallel with the RESPES data, indicate, however, that matrix element effects cannot be ruled out.

本文言語English
論文番号184707
ジャーナルJournal of Chemical Physics
126
18
DOI
出版ステータスPublished - 2007

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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