Remarkable impact of low BiYbO3 doping levels on the local structure and phase transitions of BaTiO3Electronic supplementary information (ESI) available: Refined coordinates, temperature factors (Uiso) and bond lengths, SEM, P-E and S-E measurements. See DOI: 10.1039/c7ta11096k

In situ Raman spectroscopy shows the simultaneous incorporation of small amounts of Bi 3+ and Yb 3+ into the lattice of BaTiO 3 to break the average symmetry inferred from X-ray powder diffraction analysis and permittivity measurements. In particular, Bi 3+ with a stereochemically active lone-pair o...

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Main Authors: Deluca, M, Al-Jlaihawi, Z. G, Reichmann, K, Bell, A. M. T, Feteira, A
Format: Article
Language:English
Online Access:Get full text
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Summary:In situ Raman spectroscopy shows the simultaneous incorporation of small amounts of Bi 3+ and Yb 3+ into the lattice of BaTiO 3 to break the average symmetry inferred from X-ray powder diffraction analysis and permittivity measurements. In particular, Bi 3+ with a stereochemically active lone-pair of electrons induces severe lattice strain and the coexistence of different local crystal symmetries over a wide temperature range, effectively controlling the physical properties, such as the temperature dependence of the permittivity and the Curie temperature. These results show that compositional gradients based in small variations of these two dopants could successfully explain the enhanced thermal stability of the permittivity in core-shell type ceramics, whereas the lower capacitance of the shell can also cap the maximum permittivity at the Curie temperature. Bi 3+ with a stereochemically active lone-pair of electrons induces severe lattice strain in BaTiO 3 as revealed by a significant Raman shift of the mode associated with the O-Ti-O bonds.
ISSN:2050-7488
2050-7496
DOI:10.1039/c7ta11096k