Estimation of Phase Stability in Pb(Mg1/3Nb2/3)O3 and Pb(Zn1/3Nb2/3)O3 Using the Bond Valence Approach |
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| Authors: | Naoki Wakiya Kazuo Shinozaki Nobuyasu Mizutani Nobuo Ishizawa |
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| Affiliation: | Department of Inorganic Materials, Faculty of Engineering, Tokyo Institute of Technology, 2-12-1, O-okayama, Meguro-ku, Tokyo 152, Japan;Materials and Structures Laboratory, Tokyo Institute of Technology, 4259, Nagatsuta-cho, Midoriku, Yokohama 226, Japan |
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| Abstract: | The structure stability of perovskite-type compounds has been quantitatively estimated by applying bond valence calculations to Pb(Mg1/3Nb2/3)O3 (PMN) and Pb(Zn1/3Nb2/3)O3 (PZN). The bond valence calculations revealed that the bond strength between oxygen and cations in the pyrochlore-type compounds is greater than that in the perovskite PMN. It is found that the absolute value of the bond valence sum of oxygen, | V O|, for a PZN single crystal is smallest in reported Pb-containing perovskite-type compounds, corresponding to the fact that it is impossible to synthesize PZN by solid-state reaction under atmospheric pressure. The calculated amount of additives required for stabilizing PZN under atmospheric pressure agreed well with the experimental values. |
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