publication . Article . 1988

Calculation of the Raman line broadening on carbonation in synthetic hydroxyapatite

De Mul, F. F. M.; Otto, C.; Greve, J.; Arends, J.; Ten Bosch, J. J.;
Open Access
  • Published: 01 Feb 1988
  • Country: Netherlands
The position and broadening of the Raman band associated with the phosphate symmetric stretching vibration in hydroxyapatite are simulated using a simple inter- and intra-ionic potential. The results are compared with experimental values. This comparison was made as a function of the incorporation of carbonate ions in the lattice for a number of substitution models. The line width of the phosphate symmetric stretching vibration is shown both theoretically and experimentally to be dependent on the carbonate content. Good agreement between calculations and experiment is obtained. The results of the calculations offer some support to the suggestions in the literatu...
free text keywords: IR-70851, Spectroscopy, General Materials Science, Chemistry, Doping, Inorganic compound, chemistry.chemical_classification, Molecular physics, Ion, Vibration, Analytical chemistry, Carbonation, Inorganic chemistry, Raman scattering, symbols.namesake, symbols, Dielectric, Lattice (order)
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