X-ray absorption fine-structure study on the fine structure of lutetium segregated at grain boundaries in fine-grained polycrystalline alumina

Hidehiro Yoshida, Yuichi Ikuhara, Taketo Sakuma, Masaki Sakurai, Eiichiro Matsubara

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

Local atomic structures around the Lu3+ ion in a 0.1 mol% LuO1.5-doped fine-grained Al2O3, in which the doped Lu3+ ions segregate to the grain boundaries, was characterized by Lu L3-edge X-ray absorption fine structure. Structural parameters in LuO1.5-doped Al2O3 were determined by a curvefitting method, and the results showed that six O2- ions coordinate with the Lu ion in LuO1.5-doped Al2O 3. In addition, it was also revealed that the Lu-O interatomic distance in Lu-doped Al2O3 was close to that in Lu 2O3, which was about 19% longer than the Al-O interatomic distance in undoped Al2O3. The present results indicated that the local atomic structures around Lu in Al2O3 are close to that in Lu2O3. It is thus supposed that atomic distances between Al3+ and O2- ions in the vicinity of Lu-segregated grain boundaries are shortened in comparison with that in undoped Al2O3. A first-principles molecular orbital calculation was performed for the [Al2O9]-12 model cluster, and the shortening of the Al-O interatomic distance was found to have an effect of increasing the ionicity in Al3+ ions.

Original languageEnglish
Pages (from-to)865-876
Number of pages12
JournalPhilosophical Magazine
Volume84
Issue number9
DOIs
Publication statusPublished - 2004 Mar 21
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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