Critical role of the coupling between the octahedral rotation and A-site ionic displacements in PbZrO3-based antiferroelectric materials investigated by in situ neutron diffraction
Date
2017
Authors
Lu, Teng
Studer, Andrew J.
Yu, Dehong
Withers, Ray
Feng, Yujun
Chen, Hua
Islam, S. S.
Xu, Zhuo
Liu, Yun
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American Physical Society
Abstract
This in situ neutron-diffraction study on antiferroelectric (AFE) Pb0.99(Nb0.02Zr0.65Sn0.28Ti0.05)O3 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.
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Physical Review B
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Journal article
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Open Access
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