Pseudo Jahn-Teller effect observed in Eu@C60

Shuichi Emura, Koun Shirai, Yoshihiro Kubozono

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationPhysica Scripta T
Pages507-509
Number of pages3
VolumeT115
DOIs
Publication statusPublished - 2005
Event12th X-ray Absorption Fine Structure International Conference, XAFS12 - Malmo, Sweden
Duration: Jun 23 2003Jun 27 2003

Other

Other12th X-ray Absorption Fine Structure International Conference, XAFS12
CountrySweden
CityMalmo
Period6/23/036/27/03

Fingerprint

Jahn-Teller effect
ions
nuclear interactions
electronics
electrons
perturbation theory
valence
ground state
shift
symmetry
configurations
atoms
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Emura, S., Shirai, K., & Kubozono, Y. (2005). Pseudo Jahn-Teller effect observed in Eu@C60. In Physica Scripta T (Vol. T115, pp. 507-509) https://doi.org/10.1238/Physica.Topical.115a00507

Pseudo Jahn-Teller effect observed in Eu@C60. / Emura, Shuichi; Shirai, Koun; Kubozono, Yoshihiro.

Physica Scripta T. Vol. T115 2005. p. 507-509.

Research output: Chapter in Book/Report/Conference proceedingChapter

Emura, S, Shirai, K & Kubozono, Y 2005, Pseudo Jahn-Teller effect observed in Eu@C60. in Physica Scripta T. vol. T115, pp. 507-509, 12th X-ray Absorption Fine Structure International Conference, XAFS12, Malmo, Sweden, 6/23/03. https://doi.org/10.1238/Physica.Topical.115a00507
Emura S, Shirai K, Kubozono Y. Pseudo Jahn-Teller effect observed in Eu@C60. In Physica Scripta T. Vol. T115. 2005. p. 507-509 https://doi.org/10.1238/Physica.Topical.115a00507
Emura, Shuichi ; Shirai, Koun ; Kubozono, Yoshihiro. / Pseudo Jahn-Teller effect observed in Eu@C60. Physica Scripta T. Vol. T115 2005. pp. 507-509
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