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front-matter
2
Table of Contents
6
Preface
10
1
13
1.1 Objectives
15
1.2 Importance of barium titanate (BaTiO3)
16
1.3 Crystal structure of barium titanate (BaTiO3)
17
1.3.1 Properties
19
1.3.2 Uses and applications
20
1.4 Doped barium titanate
21
1.5 Applications of doped BaTiO3
21
1.5.1 Barium strontium titanate (BST)
21
1.5.2 Barium zirconium titanate (BZT)
22
1.5.3 Barium lanthanum titanate (BLT)
22
1.5.4 Barium cerium titanate (BCT)
23
1.5.5 Barium strontium zirconium titanate (BSZT)
24
1.6 Preparation of titanates
24
1.7 Solid state reaction technique
25
1.7.1 Mixing
25
1.7.2 Calcination
25
1.7.3 Grinding
26
1.7.4 Pressing / pelletizing
27
1.7.5 Final sintering
27
1.8 Preparation of doped titanates
29
1.8.1 Preparation of Ba1-xSrxTiO3
30
1.8.2 Preparation of BaTi1-xZrxO3
31
1.8.3 Preparation of Ba1-x La2x/3TiO3
32
1.8.4 Preparation of BaTi1-xCexO3
33
1.8.5 Preparation of Ba1-xSrxTi0.9Zr0.1O3
34
1.9 Characterization methods
36
1.9.1 Powder X-ray diffraction method (PXRD)
36
1.9.3 Scanning electron microscopy (SEM)
38
1.9.4 Energy dispersive X-ray spectroscopy (EDS)
40
1.10 Instruments used for characterization studies
41
1.11 Methodologies used
42
1.11.1 XRD powder profile refinement through Rietveld technique
42
1.11.1.1 Refinement procedure
42
1.11.1.2 Peak shape
43
1.11.1.3 Peak width
44
1.11.1.4 Preferred orientation
44
1.11.1.5 Background function
45
1.11.1.6 XRD powder profile refinement using JANA 2006
45
1.11.2 Charge density analysis through maximum entropy method (MEM)
46
1.11.2.1 Electron density
46
1.11.2.2 Structure factor
47
1.11.2.3 Fourier method
48
1.11.2.4 Formalism of maximum entropy method (MEM)
50
1.11.2.5 Principle of MEM
51
1.11.2.6 MEM methodology
54
1.11.3 Optical hand gap evaluation using UV-vis spectra
55
1.11.4 Grain size evaluation
56
References
57
2
64
2.1 Introduction
65
2.2 Structural characterization – Powder X-ray diffraction
66
2.2.1 Ba1-xSrxTiO3
66
2.2.2 BaTi1-xZrxO3
70
2.2.3 Ba1-xLa2x/3TiO3
73
2.2.4 BaTi1-xCexO3
78
2.2.5 Ba1-xSrxTi0.9Zr0.1O3
81
2.3 Optical characterization – UV -visible absorption spectra
85
2.3.1 Ba1-x SrxTiO3
85
2.3.2 BaTi1-xZrxO3
86
2.3.3 Ba1-xLa2x/3TiO3
88
2.3.4 BaTi1-xCexO3
89
2.3.5 Ba1-xSrxTi0.9Zr0.1O3
91
2.4 Morphological characterization - SEM
92
2.4.1 Ba1-xSrxTiO3
92
2.4.2 BaTi1-xZrxO3
93
2.4.3 Ba1-xLa2x/3TiO3
94
2.4.4 BaTi1-xCexO3
96
2.4.5 Ba1-xSrxTi0.9Zr0.1O3
97
2.5 Elemental confirmation - EDS
98
2.5.1 Ba1-xSrxTiO3
98
2.5.2 BaTi1-xZrxO3
99
2.5.3 Ba1-xLa2x/3TiO3
100
2.5.4 BaTi1-xCexO3
101
2.5.5 Ba1-xSrxTi0.9Zr0.1O3
102
2.6 Charge density distribution – maximum entropy method
103
2.6.1 Ba1-xSrxTiO3
103
2.6.2 BaTi1-xZrxO3
110
2.6.3 Ba1-xLa2x/3TiO3
115
2.6.4 BaTi1-xCexO3
120
2.6.5 Ba1-xSrxTi0.9Zr0.1O3
125
References
130
3. Analysis of Results
131
3.1 Introduction
132
3.2 Sample preparation
133
3.3 Structutal analysis of doped titanates
134
3.3.1 Ba1-x SrxTiO3
134
3.3.2 BaTi1-xZrxO3
136
3.3.3 Ba1-xLa2x/3TiO3
137
3.3.4 BaTi1-xCexO3
138
3.3.5 Ba1-xSrxTi0.9Zr0.1O3
139
3.4 Grain size analysis of doped titanates
142
3.5 Optical analysis of doped titanates
143
3.5.1 Ba1-xSrxTiO3
143
3.5.2 BaTi1-xZrxO3
144
3.5.3 Ba1-xLa2x/3TiO3
144
3.5.4 BaTi1-xCexO3
144
3.5.5 Ba1-xSrxTi0.9Zr0.1O3
144
3.6 Morphological analysis of doped titanates
145
3.6.1 Ba1-xSrxTiO3
146
3.6.2 BaTi1-xZrxO3
146
3.6.3 Ba1-xLa2x/3TiO3
146
3.6.4 BaTi1-xCexO3
146
3.6.5 Ba1-xSrxTi0.9Zr0.1O3
147
3.7 Elemental analysis of doped titanates
148
3.7.1 Ba1-xSrxTiO3
148
3.7.2 BaTi1-xZrxO3
148
3.7.3 Ba1-xLa2x/3TiO3
148
3.7.4 BaTi1-xCexO3
149
3.7.5 Ba1-xSrxTi0.9Zr0.1O3
149
3.8 Charge density analysis of doped titanates
149
3.8.1 Ba1-x SrxTiO3
149
3.8.2 BaTi1-xZrxO3
151
3.8.3 Ba1-xLa2x/3TiO3
152
3.8.4 BaTi1-xCexO3
154
3.8.5 Ba1-xSrxTi0.9Zr0.1O3
155
References
157
4
160
Conclusion
160
(i) Structural
161
(ii) Grain size
162
(iii) Optical
162
(iv) Morphological
162
(v) Elemental
163
(vi) Charge density
163
Keyword Index
165
About the Author
166
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