### 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 language | English |
---|---|

Number of pages | 1 |

Journal | Physical Review B - Condensed Matter and Materials Physics |

Volume | 67 |

Issue number | 11 |

DOIs | |

Publication status | Published - Jan 1 2003 |

Externally published | Yes |

### Fingerprint

### ASJC Scopus subject areas

- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics

### Cite this

*Physical Review B - Condensed Matter and Materials Physics*,

*67*(11). https://doi.org/10.1103/PhysRevB.67.115410

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

Research output: Contribution to journal › Article

*Physical Review B - Condensed Matter and Materials Physics*, vol. 67, no. 11. https://doi.org/10.1103/PhysRevB.67.115410

}

TY - JOUR

T1 - Crystal structure and electronic transport of (formula presented)

AU - Kanbara, T.

AU - Kubozono, Yoshihiro

AU - Takabayashi, Y.

AU - Fujiki, S.

AU - Kashino, S.

AU - Shibata, K.

AU - Fujiwara, A.

AU - Emura, S.

PY - 2003/1/1

Y1 - 2003/1/1

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.

UR - http://www.scopus.com/inward/record.url?scp=85038947993&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85038947993&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.67.115410

DO - 10.1103/PhysRevB.67.115410

M3 - Article

AN - SCOPUS:85038947993

VL - 67

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 1098-0121

IS - 11

ER -