Rietveld refinement, electronic structure and ionic conductivity of Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}F{sub 2} and Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}O ceramics

Journal Article · Fri Jul 15 04:00:00 EDT 2016 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2016.04.020· OSTI ID:22584148

Boughzala, Khaled ^[1]; Debbichi, Mourad ^[2]; Njema, Hela; Bouzouita, Khaled ^[3]

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1. Higher Institute for Technological Studies, 5070 Ksar Hellal (Tunisia)
2. Laboratory of Condensed Matter and Nanosciences, Department of Physics, Faculty of Science of Monastir, Road of the Environment, 5019 Monastir (Tunisia)
3. Preparatory Institute for Engineering Studies, 5000 Monastir (Tunisia)

In this paper, we report the effect of the tunnel anions on the ionic conductivity of Strontium-Lanthanum silicate apatites. The Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}F{sub 2} and Sr{sub 4}La{sub 6}(SiO{sub 4}){sub 6}O ceramics were prepared by the solid state reaction method. X-ray diffraction, NMR spectroscopy and Raman measurements were performed to investigate the crystal structure and vibrational active modes. Moreover, the electronic structures of the crystals were evaluated by the first-principles quantum mechanical calculation based on the density functional theory. Finally, the ionic conductivity was studied according to the complex impedance method. - Graphical abstract: The relaxed primitive unit cell for Sr{sub 4}La{sub 6}Fap. Display Omitted.

• OSTI ID: 22584148
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Vol. 239; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ANIONS
APATITES
CERAMICS
CRYSTAL STRUCTURE
CRYSTALS
DENSITY
DENSITY FUNCTIONAL METHOD
ELECTRONIC STRUCTURE
IONIC CONDUCTIVITY
LANTHANUM
LANTHANUM SILICATES
NUCLEAR MAGNETIC RESONANCE
RAMAN SPECTROSCOPY
SILICON 29
SILICON OXIDES
SOLIDS
STRONTIUM
X RADIATION
X-RAY DIFFRACTION