Pseudo Jahn-Teller effect observed in Eu@C60

Shuichi Emura, Koun Shirai, Yoshihiro Kubozono


1 被引用数 (Scopus)


Structures and electronic states in the ground state of endohedral fullerence are investigated by XAFS analysis and XANES spectrum. The distances between the Eu ion and the neighboring C atoms show clearly that the Eu ion is inside the C60 cage. The endohedral element, Eu, in C60 is located away from the central position of C60 cage by 1.4. We show the detailed location of the Eu ion in the C60 cage by XAFS and the first principles calculation. The perturbation theory indicates that the distortion of C60 cage and the shift of the Eu ion are attributed to electron-nuclear interaction, pseudo-Jahn-Teller type interaction. XANES spectrum of Eu LIII-edge shows that the valence of the Eu ion is close to +2. The electron configuration is thus f7, showing the total symmetry (A1g) of Ih group. The details of the structures and the electronic states will be discussed with both the experimental and theoretical results.

ジャーナルPhysica Scripta T
出版ステータスPublished - 2005
イベント12th X-ray Absorption Fine Structure International Conference, XAFS12 - Malmo
継続期間: 6月 23 20036月 27 2003

ASJC Scopus subject areas

  • 原子分子物理学および光学
  • 数理物理学
  • 凝縮系物理学


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