Crystal structure and electronic transport of Dy@C82

Y. Kubozono, Y. Takabayashi, K. Shibata, T. Kanbara, S. Fujiki, S. Kashino, A. Fujiwara, S. Emura

Research output: Contribution to journalArticlepeer-review

42 Citations (Scopus)

Abstract

The crystal structure of Dy@C82 isomer I at 298 K has been determined by Rietveld refinement for x-ray powder diffraction with synchrotron radiation. Isomer I shows a simple cubic structure (sc: Pa3) with a lattice constant a of 15.78(1) Å. The C2 axis of a C2v-C82 cage aligns along the [111] direction of this crystal lattice. The C82 cage is orientationally disordered to satisfy a 3 symmetry along [111], which is requested in this space group. The large thermal parameter for the Dy atom estimated from the x-ray diffraction probably reflects a large disorder caused by a floating motion of the Dy atom inside the C82 cage as well as a ratchet-type motion of the Dy@C82 molecule. The electronic transport of thin film of Dy@C82 shows a semiconducting behavior. The energy gap Eg is estimated to be 0.2 eV. Further, the variation of valence from Dy3+ to Dy2+ is found by metal doping into the Dy@C82 crystals.

Original languageEnglish
Article number115410
Pages (from-to)1154101-1154108
Number of pages8
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number11
Publication statusPublished - Mar 2003
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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