Site Occupancy of Rare-Earth Cations in BaTiO3
- 1 January 2001
- journal article
- Published by IOP Publishing in Japanese Journal of Applied Physics
- Vol. 40 (1R), 255-258
- https://doi.org/10.1143/jjap.40.255
Abstract
A systematic study on the site occupancy of rare-earth cations in Ba-rich and Ti-rich BaTiO3 fired in reducing atmosphere is performed. The corresponding lattice relaxation is used as an indicator of site occupancy and, to a lesser extent, defect structures. Accurate lattice parameters are obtained from X-ray diffraction data that is analyzed with the maximum likelihood method to account for correlated errors in the c and a lattice parameters. Comparisons of lattice volume as a function of ionic radius of the dopant reveals three regimes, with the intermediate sized cations (0.087 nm \leqslantr \leqslant0.094 nm where r is the ionic radius in six-fold coordination) demonstrating amphoteric behavior (occupying A- or B-sites). Defect chemistry analysis of site occupancy links the importance of metal vacancy ratios and oxygen vacancy concentrations with site occupancy. The trends predicted from the defect chemistry analysis are consistent with the observed lattice relaxations.Keywords
This publication has 10 references indexed in Scilit:
- Analysis of X‐ray Powder Diffraction Data Using the Maximum Likelihood Estimation MethodJournal of the American Ceramic Society, 2000
- The effect of rare-earth (La, Sm, Dy, Ho and Er) and Mg on the microstructure in BaTiO3Journal of the European Ceramic Society, 1999
- Mechanism of improvement of resistance degradation in Y-doped BaTiO3 based MLCCs with Ni electrodes under highly accelerated life testingJournal of the European Ceramic Society, 1999
- Incorporation of Yttrium in Barium Titanate CeramicsJournal of the American Ceramic Society, 1999
- Compensating Defects in Highly Donor‐Doped BaTiO3Journal of the American Ceramic Society, 1986
- Mn-doped polycrystalline BaTiO3Journal of Materials Science, 1979
- Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenidesActa Crystallographica Section A, 1976
- Two Sets of E. S. R. of Gd3+ in BaTiO3 Ceramic SemiconductorJournal of the Physics Society Japan, 1964
- Properties of Semiconductive Barium TitanatesJournal of the Physics Society Japan, 1959
- Relations between the Concentrations of Imperfections in Crystalline SolidsPublished by Elsevier BV ,1956