Structure electronic and ionic conductivity study versus Ca content in Ca{sub 10-x}Sr{sub x}(PO{sub 4}){sub 6}F{sub 2} apatites

Journal Article · Wed Jul 01 00:00:00 EDT 2009 · Materials Research Bulletin

DOI:https://doi.org/10.1016/J.MATERRESBULL.2009.01.021· OSTI ID:22029814

Sghir, B ^[1]; Hlil, E K ^[2]; Laghzizil, A ^[3]; Boujrhal, F Z; Cherkaoui El Moursli, R ^[1]; Fruchart, D ^[2]

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1. Laboratoire de Physique Nucleaire, Faculte des Sciences, Av. Ibn Battouta, B.P. 1014, Rabat (Morocco)
2. Instiut Neel, CNRS, Dept. MCMF, 25 Av. des Martyrs, B.P. 166, 38042, Grenoble (France)
3. Laboratoire de Chimie Physique Generale, Faculte des Sciences, Av. Ibn Battouta, B.P. 1014, Rabat (Morocco)

Substitution effect on the crystallographic structure in Ca{sub 10-x}Sr{sub x}(PO{sub 4}){sub 6}F{sub 2} solid solution are studied by X-ray diffraction patterns and Rietveld refinements. Full potential electronic structure calculations based on LCAO (linear combination atomic orbital) are also performed using the obtained crystallographic parameters. DOS modification and the charge transfer are estimated versus the calcium content. According to the complex impedance method, ionic conductivity changes are explained.

• OSTI ID: 22029814
• Journal Information: Materials Research Bulletin, Vol. 44, Issue 7; Other Information: Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0025-5408
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
APATITES
CRYSTAL STRUCTURE
CRYSTALLOGRAPHY
ELECTRONIC STRUCTURE
IONIC CONDUCTIVITY
PHOSPHATES
SOLID SOLUTIONS
X-RAY DIFFRACTION