Local environment analysis of Mn ions in β-tricalcium phosphate

Kazuhiko Kawabata; Hironobu Sato; Tomoyuki Yamamoto

doi:10.2109/jcersj2.116.108

Local environment analysis of Mn ions in β-tricalcium phosphate

Kazuhiko Kawabata^*, Hironobu Sato, Tomoyuki Yamamoto

^*Corresponding author for this work

School of Fundamental Science and Engineering

Research output: Contribution to journal › Article › peer-review

15 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 language	English
Pages (from-to)	108-110
Number of pages	3
Journal	Journal of the Ceramic Society of Japan
Volume	116
Issue number	1349
DOIs	https://doi.org/10.2109/jcersj2.116.108
Publication status	Published - 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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title = "Local environment analysis of Mn ions in β-tricalcium phosphate",

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.",

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T1 - Local environment analysis of Mn ions in β-tricalcium phosphate

AU - Kawabata, Kazuhiko

AU - Sato, Hironobu

AU - Yamamoto, Tomoyuki

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Y1 - 2008/1

N2 - 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.

AB - 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.

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KW - Local environment

KW - Mn

KW - Near-edge x-ray absorption fine structure

KW - β-tricalcium phosphate

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Local environment analysis of Mn ions in β-tricalcium phosphate

Abstract

Keywords

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