Electronic structure and bonding interactions in Ba1−xSr x Zr0.1Ti0.9O3 ceramics
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An investigation on the precise electronic structure and bonding interactions has been carried out on Ba1−xSr x Zr0.1Ti0.9O3 (short for BSZT, x = 0, 0.05, 0.07 and 0.14) ceramic systems prepared via high-temperature solid state reaction technique. The influence of Sr doping on the BSZT structure has been examined by characterizing the prepared samples using PXRD, UV-visible spectrophotometry, SEM and EDS. Powder profile refinement of X-ray data confirms that all the synthesized samples have been crystallized in cubic perovskite structure with single phase. Charge density distribution of the BSZT systems has been completely analyzed by the maximum entropy method (MEM). Co-substitution of Sr at the Ba site and Zr at the Ti site into the BaTiO3 structure presents the ionic nature between Ba and O ions and the covalent nature between Ti and O ions, revealed from MEM calculations. Optical band gap values have been evaluated from UV-visible absorption spectra. Particles with irregular shapes and well defined grain boundaries are clearly visualized from SEM images. The phase purity of the prepared samples is further confirmed by EDS qualitative spectral analysis.
Keywordsbarium titanate X-ray diffraction Rietveld refinement maximum entropy method bonding
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The authors gratefully acknowledge the authorities of “The Madura College, Madurai-11” for providing lab facilities, continuous support and encouragement to carry out the research work successfully. One of the authors (J.M.) is thankful to the Management of NMSSVN College, Nagamalai, Madurai-19 and UGC for the Faculty Development Programme of XII plan, the period in which this effective work was carried out.
- Wang X, Huang R, Zhao Y, et al. Dielectric and tunable properties of Zr doped BST ceramics prepared by spark plasma sintering. Journal of Alloys and Compounds, 2012, 533(1): 25–28Google Scholar
- Petricek V, Dusek M, Palatinus L. The crystallographic computing system JANA 2006: General features. Zeitschrift fur Kristallographie, 2014, 229(5): 345–352Google Scholar
- Wyckoff R W G. Crystal Structures, Vol. 2. London: Inter-space Publishers,1963Google Scholar
- Saravanan R. GRAIN software (personal communication)Google Scholar
- Izumi F, Dilanien R A. Recent Research Developments in Physics, Part II, Vol. 3. Trivandrum, India: Transworld Research Network,2002Google Scholar