Crystal structure and electronic transport of (formula presented)

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

Research output: Contribution to journalArticle

Abstract

The crystal structure of (formula presented) 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: (formula presented) with a lattice constant a of 15.78(1) Å. The (formula presented) axis of a (formula presented) cage aligns along the [111] direction of this crystal lattice. The (formula presented) cage is orientationally disordered to satisfy a (formula presented) 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 (formula presented) cage as well as a ratchet-type motion of the (formula presented) molecule. The electronic transport of thin film of (formula presented) shows a semiconducting behavior. The energy gap (formula presented) is estimated to be 0.2 eV. Further, the variation of valence from (formula presented) to (formula presented) is found by metal doping into the (formula presented) crystals.

Original languageEnglish
Number of pages1
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number11
DOIs
Publication statusPublished - Jan 1 2003
Externally publishedYes

Fingerprint

Isomers
Crystal structure
X rays
Atoms
crystal structure
Rietveld refinement
Synchrotron radiation
electronics
Crystal lattices
Lattice constants
Energy gap
Diffraction
Metals
Doping (additives)
Thin films
Crystals
Molecules
isomers
crystal lattices
Direction compound

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Crystal structure and electronic transport of (formula presented). / Kanbara, T.; Kubozono, Yoshihiro; Takabayashi, Y.; Fujiki, S.; Kashino, S.; Shibata, K.; Fujiwara, A.; Emura, S.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 67, No. 11, 01.01.2003.

Research output: Contribution to journalArticle

Kanbara, T. ; Kubozono, Yoshihiro ; Takabayashi, Y. ; Fujiki, S. ; Kashino, S. ; Shibata, K. ; Fujiwara, A. ; Emura, S. / Crystal structure and electronic transport of (formula presented). In: Physical Review B - Condensed Matter and Materials Physics. 2003 ; Vol. 67, No. 11.
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AU - Kanbara, T.

AU - Kubozono, Yoshihiro

AU - Takabayashi, Y.

AU - Fujiki, S.

AU - Kashino, S.

AU - Shibata, K.

AU - Fujiwara, A.

AU - Emura, S.

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N2 - The crystal structure of (formula presented) 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: (formula presented) with a lattice constant a of 15.78(1) Å. The (formula presented) axis of a (formula presented) cage aligns along the [111] direction of this crystal lattice. The (formula presented) cage is orientationally disordered to satisfy a (formula presented) 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 (formula presented) cage as well as a ratchet-type motion of the (formula presented) molecule. The electronic transport of thin film of (formula presented) shows a semiconducting behavior. The energy gap (formula presented) is estimated to be 0.2 eV. Further, the variation of valence from (formula presented) to (formula presented) is found by metal doping into the (formula presented) crystals.

AB - The crystal structure of (formula presented) 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: (formula presented) with a lattice constant a of 15.78(1) Å. The (formula presented) axis of a (formula presented) cage aligns along the [111] direction of this crystal lattice. The (formula presented) cage is orientationally disordered to satisfy a (formula presented) 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 (formula presented) cage as well as a ratchet-type motion of the (formula presented) molecule. The electronic transport of thin film of (formula presented) shows a semiconducting behavior. The energy gap (formula presented) is estimated to be 0.2 eV. Further, the variation of valence from (formula presented) to (formula presented) is found by metal doping into the (formula presented) crystals.

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