Symmetry-mode analysis for intuitive observation of structure–property relationships in the lead-free antiferroelectric (1−x)AgNbO3–xLiTaO3
| Autor: | Y. Mendez-González, Ye Tian, Teng Lu, Zhuo Xu, Garry J. McIntyre, Xiaoyong Wei, Narendirakumar Narayanan, Li Jin, Raymond Withers, Yun Liu, Andrew J Studer, Dehong Yu, Haixue Yan, Qian Li, Aimé Peláiz-Barranco |
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| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Phase transition
Materials science symmetry-mode analysis Field (physics) materials science inorganic materials 02 engineering and technology Dielectric 010402 general chemistry 01 natural sciences Biochemistry Condensed Matter::Materials Science Antiferroelectricity General Materials Science Ceramic lcsh:Science Condensed matter physics General Chemistry inorganic chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Ferroelectricity Research Papers Symmetry (physics) 0104 chemical sciences phase transitions Hysteresis crystal engineering visual_art visual_art.visual_art_medium lcsh:Q anti-ferroelectricity 0210 nano-technology |
| Zdroj: | IUCrJ, Vol 6, Iss 4, Pp 740-750 (2019) IUCrJ |
| ISSN: | 2052-2525 |
| Popis: | Symmetry-mode analysis has been used to construct the direct linkage between structure and properties for (anti)ferroelectric materials. Functional materials are of critical importance to electronic and smart devices. A deep understanding of the structure–property relationship is essential for designing new materials. In this work, instead of utilizing conventional atomic coordinates, a symmetry-mode approach is successfully used to conduct structure refinement of the neutron powder diffraction data of (1−x)AgNbO3–xLiTaO3 (0 ≤ x ≤ 0.09) ceramics. This provides rich structural information that not only clarifies the controversial symmetry assigned to pure AgNbO3 but also explains well the detailed structural evolution of (1−x)AgNbO3–xLiTaO3 (0 ≤ x ≤ 0.09) ceramics, and builds a comprehensive and straightforward relationship between structural distortion and electrical properties. It is concluded that there are four relatively large-amplitude major modes that dominate the distorted Pmc21 structure of pure AgNbO3, namely a Λ3 antiferroelectric mode, a T4+ a − a − c 0 octahedral tilting mode, an H2 a 0 a 0 c +/a 0 a 0 c − octahedral tilting mode and a Γ4− ferroelectric mode. The H2 and Λ3 modes become progressively inactive with increasing x and their destabilization is the driving force behind the composition-driven phase transition between the Pmc21 and R3c phases. This structural variation is consistent with the trend observed in the measured temperature-dependent dielectric properties and polarization–electric field (P-E) hysteresis loops. The mode crystallography applied in this study provides a strategy for optimizing related properties by tuning the amplitudes of the corresponding modes in these novel AgNbO3-based (anti)ferroelectric materials. |
| Databáze: | OpenAIRE |
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