論文

査読有り
2018年3月13日

Selective Hydride Occupation in BaVO3-xHx (0.3 ≤ × ≤ 0.8) with Faceand Corner-Shared Octahedra

Chemistry of Materials
  • Takafumi Yamamoto
  • ,
  • Kazuki Shitara
  • ,
  • Shunsaku Kitagawa
  • ,
  • Akihide Kuwabara
  • ,
  • Masahiro Kuroe
  • ,
  • Kenji Ishida
  • ,
  • Masayuki Ochi
  • ,
  • Kazuhiko Kuroki
  • ,
  • Kotaro Fujii
  • ,
  • Masatomo Yashima
  • ,
  • Craig M. Brown
  • ,
  • Hiroshi Takatsu
  • ,
  • Cedric Tassel
  • ,
  • Hiroshi Kageyama

30
5
開始ページ
1566
終了ページ
1574
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1021/acs.chemmater.7b04571
出版者・発行元
American Chemical Society

A growing number of transition metal oxyhydrides have recently been reported, but they are all confined to perovskite-related structures with corner-shared octahedra. Using high pressure synthesis, we have obtained vanadium oxyhydrides BaVO3-xHx (0.3 ≤ x ≤ 0.8) with a 6H-type hexagonal layer structure consisting of face-shared as well as corner-shared octahedra. Synchrotron X-ray and neutron diffraction measurements revealed that, in BaVO2.7H0.3, H- anions are located selectively at the face-shared sites, as supported by DFT calculations, while BaVO2.2H0.8 contains H- anions at both sites though the face-shared preference is partially retained. The selective hydride occupation for BaVO2.7H0.3 appears to suppress electron hopping along the c axis, making this material a quasi-two-dimensional metal characterized by anomalous temperature dependence of the electrical resistivity and strong antiferromagnetic fluctuations. In contrast, the anion disordered BaVO3-xHx in hexagonal (x ≈ 0.8) and cubic (x ≈ 0.9) forms exhibits a semiconducting behavior. This study offers a wide opportunity to develop transition metal oxyhydrides having various polyhedral linkages, along with site preference of H/O anions, aimed at finding interesting phenomena.

Web of Science ® 被引用回数 : 15

リンク情報
DOI
https://doi.org/10.1021/acs.chemmater.7b04571
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000427661500015&DestApp=WOS_CPL
ID情報
  • DOI : 10.1021/acs.chemmater.7b04571
  • ISSN : 1520-5002
  • ISSN : 0897-4756
  • SCOPUS ID : 85043760587
  • Web of Science ID : WOS:000427661500015

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