Substitution effect on the crystallographic structure in Ca10−xSrx(PO4)6F2 solid
solution were studied by X-ray diffraction patterns and Rietveld refinements. Full
potential electronic structure calculations based upon linear combination atomic
orbitals were also performed using the obtained crystallographic parameters.
Density of states modification and the charge transfer were estimated versus the
calcium content. According to the complex impedance method, ionic conductivity
changes were explained.
Structure Electronic and Ionic Conductivity Study Versus Ca Content in
Ca10−xSrx(PO4)6F2 Apatites. B.Sghir, E.K.Hlil, A.Laghzizil, F.Z.Boujrhal, R.C.El
Moursli, D.Fruchart: Materials Research Bulletin, 2009, 44[7], 1592-5