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23Na NMR Spectroscopic Quantification of the Antiferroelectric–Ferroelectric Phase Coexistence in Sodium Niobate

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The irreversible field-induced phase transition between the antiferroelectric (P) and ferroelectric (Q) polymorphs of sodium niobate (NaNbO3) ceramics constitutes a focal point in improving the material’s energy storage properties. The… Click to show full abstract

The irreversible field-induced phase transition between the antiferroelectric (P) and ferroelectric (Q) polymorphs of sodium niobate (NaNbO3) ceramics constitutes a focal point in improving the material’s energy storage properties. The coexistence of P and Q phases can be verified by x-ray and electron diffraction methods, but its extent remains elusive. Two-dimensional solid-state nuclear magnetic resonance (NMR) spectroscopy allows the quantification of relative amounts of the coexisting polymorphs, but the analysis of ceramic sample pieces requires a trade-off between sufficient sensitivity (at higher magnetic fields) and separation of the overlapping P and Q signals (at lower magnetic fields). In this contribution, we apply the Satellite Transition Magic Angle Spinning (STMAS) pulse sequence in a quantitative analysis of the antiferroelectric-ferroelectric phase transition in NaNbO3 ceramics. Both field- and grain size-induced transitions are investigated and the coexistence of the Q and P phases after application of an electric field is quantified to be approximately 50:50 percent. No indication is found that the local structure of the field-induced Q polymorph differs fundamentally from that induced in small-sized grains. Furthermore, the sensitivity and resolution of STMAS is compared to previously reported applications of the Triple Quantum Magic Angle Spinning (3QMAS) sequence to the NaNbO3 system.

Keywords: antiferroelectric ferroelectric; field; ferroelectric phase; sodium niobate; quantification

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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