Effect of chemical state and occupation site of RE (RE = Yb, Y, Eu, Sm, Nd) on crystal structure and optical property of BaCe1-xRExO3-δ —Analyses of origin of peculiar crystal structure and property of BaCe1-xNdxO3-δ

Eiki Niwa, Tomomi Hosaka, Takahiro Onoe, Misa Shimizu, Yoshikiyo Hatakeyama, Ken Judai, Fumito Fujishiro, Takuya Hashimoto

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1 Citation (Scopus)

Abstract

Crystal structure, temperature dependence of molar volume and optical property of single phase BaCe1-xRExO3-δ were investigated. The crystal structure of BaCe1-xRExO3-δ (RE; Yb, Y, Eu, and Sm) and BaCe1-xNdxO3-δ changes from primitive orthorhombic to monoclinic and body-centered orthorhombic, respectively, by increasing x. Almost linear relationship between ionic radius of RE3+ and the molar volume are observed for BaCe1-xRExO3-δ with RE of Yb, Y, Eu, Sm; however, that of BaCe1-xNdxO3-δ is smaller than the relationship. As one of the origins, proposed is that Nd in BaCe1-xNdxO3-δ is near 4+, showing agreement with reported oxygen nonstoichiometry, in-situ X-ray absorption spectra and reduction expansion observed in this work. As another origin, partial Ba-site mixing of Nd3+ is proposed from separation of BaCO3 from BaCe0.9Nd0.1O3-δ by high temperature sintering. The lower optical band gap of BaCe0.9Nd0.1O3-δ observed by reflectance spectroscopy, can also be explained by the partial mixing.

Original languageEnglish
Pages (from-to)6-13
Number of pages8
JournalMaterials Research Bulletin
Volume87
DOIs
Publication statusPublished - Mar 1 2017
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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