Crystal structure and electronic transport of Dy@C82

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

研究成果: Article査読

42 被引用数 (Scopus)


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.

ジャーナルPhysical Review B - Condensed Matter and Materials Physics
出版ステータスPublished - 2003 3月

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学


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