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Critical role of the coupling between the octahedral rotation andA-site ionic displacements inPbZrO3-based antiferroelectric materials investigated byin situneutron diffraction
- Source :
- Physical Review B. 96
- Publication Year :
- 2017
- Publisher :
- American Physical Society (APS), 2017.
-
Abstract
- This in situ neutron-diffraction study on antiferroelectric (AFE) $\mathrm{P}{\mathrm{b}}_{0.99}(\mathrm{N}{\mathrm{b}}_{0.02}\mathrm{Z}{\mathrm{r}}_{0.65}\mathrm{S}{\mathrm{n}}_{0.28}\mathrm{T}{\mathrm{i}}_{0.05}){\mathrm{O}}_{3}$ polycrystalline materials describes systematic structural and associated preferred orientation changes as a function of applied electric field and temperature. It is found that the pristine AFE phase can be poled into the metastable ferroelectric (FE) phase at room temperature. At this stage, both AFE and FE phases consist of modes associated with octahedral rotation and $A$-site ionic displacements. The temperature-induced phase transition indicates that the octahedral rotation and ionic displacements are weakly coupled in the room-temperature FE phase and decoupled in the high-temperature FE phase. However, both temperature and $E$-field-induced phase transitions between the AFE and high-temperature FE phase demonstrate the critical role of coupling between octahedral rotation and $A$-site ionic displacements in stabilizing the AFE structure, which provides not only experimental evidence to support previous theoretical calculations, but also an insight into the design and development of AFE materials. Moreover, the associated preferred orientation evolution in both AFE and FE phases is studied during the phase transitions. It is found that the formation of the preferred orientation can be controlled to tune the samples' FE and AFE properties.
- Subjects :
- Phase transition
Materials science
Neutron diffraction
Ionic bonding
02 engineering and technology
021001 nanoscience & nanotechnology
Coupling (probability)
01 natural sciences
Ferroelectricity
Orientation (vector space)
Crystallography
Octahedron
Phase (matter)
0103 physical sciences
010306 general physics
0210 nano-technology
Subjects
Details
- ISSN :
- 24699969 and 24699950
- Volume :
- 96
- Database :
- OpenAIRE
- Journal :
- Physical Review B
- Accession number :
- edsair.doi...........eee42cd8678eed67d528d4d92da1cd47