Local environment analysis of Mn ions in β-tricalcium phosphate

Kazuhiko Kawabata, Hironobu Sato, Tomoyuki Yamamoto

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Mn-doped β-tricalcium phosphate (β-TCP) is synthesized by the solid-state reaction method. The local environment of doped Mn ions in β-TCP is investigated by the near-edge X-ray absorption fine structure (NEXAFS) measurements. The first principles calculations are also carried out to obtain the theoretical NEXAFS spectra within the density functional theory (DFT). Observed NEXAFS spectra from the Mn ions in β-TCP are quantitatively well reproduced by the present theoretical calculations, which show Mn ions are substituted for Ca2+ site in β-TCP.

Original languageEnglish
Pages (from-to)108-110
Number of pages3
JournalJournal of the Ceramic Society of Japan
Volume116
Issue number1349
DOIs
Publication statusPublished - 2008 Jan

Keywords

  • First principles calculation
  • Local environment
  • Mn
  • Near-edge x-ray absorption fine structure
  • β-tricalcium phosphate

ASJC Scopus subject areas

  • Ceramics and Composites
  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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