Novel Ceramic Materials, Chapter 5

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Ferroelectric Charge Ordering in BaTi0.9Zr0.1O3 Lead-Free Ceramics through Powder X-Ray Diffraction

J. Mangaiyarkkarasi, R. Saravanan

In this work, we report the structural, ferroelectric charge ordering and optical properties of lead-free BaTi0.9Zr0.1O3 ceramics synthesized by the high temperature solid state reaction method. The grown sample was characterized using powder X-ray diffraction, Rietveld refinement, UV-visible spectroscopy and scanning electron microscopy. The tetragonal structure of the sample was confirmed through the X-ray data. Two dimensional MEM charge density maps and one dimensional profiles revealed the enhanced covalent character between titanium and oxygen ions and the ionic nature between barium and oxygen ions. The energy band gap is evaluated as 2.87eV from UV-vis analysis. The surface morphology is analyzed with the SEM micrograph.

Keywords
Ceramics, X-Ray Diffraction, Charge Density, Rietveld Refinement, Maximum Entropy Method

Published online 6/1/2016, 14 pages

DOI: 10.21741/9781945291036-5

Part of Novel Ceramic Materials

References
[1] Fangyi Rao, Miyoung Kim, A. J. Freeman, Shaoping Tang and Mark Anthony, Structural and electronic properties of transition-metal/BaTiO3(001) interfaces, Physical Review B, 55, (1997) 953-960.
http://dx.doi.org/10.1103/PhysRevB.55.13953
[2] Zhang Guang zu, Yi Jinqiao, Jiang Shenglin,Yu Yan, He Jungang, Liu Sisi, Zhu Dingyang, Zhang Ling, Role of internal stress on dielectric and dc bias field-induced pyroelectric properties of Ba0.68Sr0.32TiO3-(Ba0.68Sr0.32)2TiO4 for uncooled infrared detectors, http://www.paper.edu.cn.
[3] J.C.Sczancoski, L.S. Cavalcante, T. Badapanda, S.K. Rout, S. Panigrahi,V.R. Mastelaro, J.A. Varela, M. Siu Li, E. Longo, Structure and optical properties [Ba1-xY2x/3](Zr0.25Ti0.75)O3 powders, Solid State Sciences 12 (2010) 1160-1167.
http://dx.doi.org/10.1016/j.solidstatesciences.2010.04.002
[4] Sandeep Mahajan, O.P. Thakur, D.K. Bhattacharya, K. Sreenivas, A comparative study of Ba0.95Ca0.05Zr0.25Ti0.75O3 relaxor ceramics prepared by conventional and microwave sintering techniques, Materials Chemistry and Physics 112 (2008) 858–862.
http://dx.doi.org/10.1016/j.matchemphys.2008.06.054
[5] P. Sateesh, J. Omprakash, G. S. Kumar and G. Prasad, Studies of phase transition and impedance behavior of Ba(Zr,Ti)O3 ceramics, Journal of Advanced Dielectrics 5, (2015) 1-13.
http://dx.doi.org/10.1142/S2010135X15500022
[6] S. Sarangi , T. Badapanda , B. Behera ,S. Anwar, Frequency and temperature dependence dielectric behavior of barium zirconate titanate nanocrystalline powder obtained by mechanochemical synthesis, J Mater Sci: Mater Electron.
[7] S. Parida, S.K. Rout, L.S. Cavalcante, A.Z. Simões, P.K. Barhai, N.C. Batista, E. Longo, M. Siu Li, S.K. Sharma, Structural investigation and improvement of photoluminescence properties in Ba(ZrxTi1-x)O3 powders synthesized by the solid state reaction method, Materials Chemistry and Physics 142 (2013) 70-76.
http://dx.doi.org/10.1016/j.matchemphys.2013.06.041
[8] Aiyun Liu, Jianqiang Xue, Xiangjian Meng, Jinglan Sun, Zhiming Huang, Junhao Chu, Infrared optical properties of Ba(Zr0.20Ti0.80)O3 and Ba(Zr0.30Ti0.70)O3 thin films prepared by sol–gel method, Applied Surface Science 254 (2008) 5660–5663.
http://dx.doi.org/10.1016/j.apsusc.2008.03.178
[9] S.K. Rout, L.S.Cavalcante, J.C.Sczancoski, T.Badapanda, S.Panigrahi, M.SiuLi, E.Longo, Photo luminescence property of Ba(Zr0.25Ti0.75)O3 powders prepared by solid state reaction and polymeric precursor method, Physica B 404 (2009) 3341–3347.
http://dx.doi.org/10.1016/j.physb.2009.05.014
[10] Wei Cai, Chunlin Fu, Jiacheng Gao, Huaqiang Chen, Effects of grain size on domain structure and ferroelectric properties of barium zirconate titanate ceramics, Journal of Alloys and Compounds 480 (2009) 870–873.
http://dx.doi.org/10.1016/j.jallcom.2009.02.049
[11] Zhao Xin-Yin, Wang Yue-Hua, Zhang Min, Zhao Na, Gong Sai, Chen Qiong, First-Principles Calculations of the Structural, Electronic and Optical Properties of BaZrxTi1−xO3 (x = 0, 0.25, 0.5, 0.75), chin. phys. lett. 28, (2011) 1-5.
[12] A.Elbasset, E.Abdi, T.Lamcharfi, S. Sayouri,M.Abarkan, N.S.Echatoui and M.Aillerie, Influence of Zr on structure and dielectric behaviour of BaTiO3 ceramics. Indian J.of.Science and Technology 8(2015)
http://dx.doi.org/10.17485/ijst/2015/v8i13/56574
[13] D.M. Collins. Electron density images from imperfect data by iterative entropy maximization. Nature., 298 (1982) 49-51.
http://dx.doi.org/10.1038/298049a0
[14] V. Petricek, M. Dusek, L. Palatinus, The Crystallographic Computing System JANA 2006. (Institute of Physics, Academy of Sciences of the Czech Republic, Praha, (2000).
[15] R.W.G. Wyckoff, Crystal structures. 1 Inter-space publishers, London, 1963.
[16] N. Sawangwan, J. Barrel, K. Mackenzie, T. Tunkasiri, The effect of Zr content on electrical properties of Ba(Ti1−xZrx)O3 ceramics, Appl. Phys. A 90, (2008) 723–727.
http://dx.doi.org/10.1007/s00339-007-4342-9
[17] R. Saravanan, Grain software (Personal communication) (2008).
[18] Lavinia Petronela Curecheriu, Raluca Frunza and Adelina Ianculescu, Dielectric properties of the BaTi0.85Zr0.15O3 ceramics prepared by different techniques, Processing and Application of Ceramics 2 (2008) 81–88.
http://dx.doi.org/10.2298/PAC0802081C
[19] A.D. Ruben, F. Izumi, Super-fast Program PRIMA for the Maximum-Entropy Method, Advanced Materials Laboratory (National institute for materials science, Tsukuba, Ibaraki, 2004).
[20] K. Momma, F. Izumi, VESTA: a three-dimensional visualization system for electronic and structural analysis Journal of Applied Crystallography., 41, 2008, 653.
http://dx.doi.org/10.1107/S0021889808012016
[21] Colin L. Freeman ,James A. Dawson , Hung-Ru Chen , Liubin Ben , John H. Harding Finlay D. Morrison , Derek C. Sinclair , and Anthony R. West Energetics of Donor-Doping, Metal Vacancies, and Oxygen-Loss in A-Site Rare-Earth-Doped BaTiO3 www.material views.com.
[22] J. Tauc, R. Grigorvici,Y. Yanca, Optical properties and electronic structure of amorphous germanium. Phys. Status Solidi. 1966, 15, 627–637.
http://dx.doi.org/10.1002/pssb.19660150224
[23] T Badapanda, S K Rout, L S Cavalcante, J C Sczancoski, S Panigrahi, E Longo and M Siu Li, Optical and dielectric relaxor behavior of Ba(Zr0.25Ti0.75)O3 ceramic explained by means of distorted clusters, J. Phys. D: Appl. Phys. 42 (2009) 175414.
http://dx.doi.org/10.1088/0022-3727/42/17/175414
[24] C. E. Ciomaga, R. Calderone, M. T. Buscaglia, M. Viviani, V. Buscaglia, L. Mitoseriu, A. Stancu, P. Nanni, Relaxor properties of Ba(Zr,Ti)O3 ceramics, Journal of Optoelectronics and Advanced Materials 8, (2006) 944 – 948.
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