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.