Description:
(abstract)(ZrxTa1−x)2O5−x was prepared by a solid-state reaction of ZrO2 and Ta2O5, and the L0-Ta2O5 phase was obtained by cooling the H-Ta2O5 phase. High-temperature x-ray diffraction measurements showed that the starting materials, ZrO2 and low-temperature L-Ta2O5, formed the high-temperature H-Ta2O5 phase when heated above 1360 °C. Upon cooling, this phase sequentially transformed into L00-Ta2O5, the high-temperature L0-Ta2O5 phase, and L0-Ta2O5 phases. As the Zr content, x, decreased, the transition from the H-Ta2O5 phase to the L00-Ta2O5 phase slowed. The temperature dependence of the dielectric constant revealed a maximum value, which is attributed to the phase transition from L0-Ta2O5 to L00-Ta2O5. This transition temperature decreases by approximately 50 °C for every 0.01 increase in the x value. The L0-Ta2O5 phase exhibited negative volumetric thermal expansion (NTE) behavior near the phase transition temperature. As x decreased, the NTE coefficient increased from−1.09 × 10−6/K (77–127 °C) for x = 0.10 to−2.06 × 10−5/K (327–427 °C) for x = 0.05. The substitution of Zr into Ta2O5 stabilized the non-centrosymmetric L0-Ta2O5 phase and controlled the phase transition temperature and thermal expansion behavior.
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Keyword: Ta2O5, Zr substitution, non-centrosymmetric, high-temperature X-ray diffraction
Date published: 2026-03-14
Publisher: AIP Publishing
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Manuscript type: Publisher's version (Version of record)
MDR DOI:
First published URL: https://doi.org/10.1063/5.0312634
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Updated at: 2026-04-10 10:38:55 +0900
Published on MDR: 2026-04-10 12:21:25 +0900
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