Nature Communications · 2022 · 107 citations · 72 references
Natural SciencesMaterials EngineeringMaterials SciencePhase TransformationsSolid State PhysicsSolid-state ChemistryFerroelectric CeramicsFerroelectric MaterialsPhase ChangePhase TransitionsPiezoelectric MaterialsSolid-state Phase TransitionsIn Situ X-ray DiffractionLead-free PiezoelectricsPiezoelectric CoefficientsPiezoelectric EffectPiezoelectric Energy HarvestingPiezoelectric PropertiesPiezoelectricitySynchrotron X-ray Diffraction
Abstract Here, we introduce phase change mechanisms in lead-free piezoceramics as a strategy to utilize attendant volume change for harvesting large electrostrain. In the newly developed (K,Na)NbO 3 solid-solution at the polymorphic phase boundary we combine atomic mapping of the local polar vector with in situ synchrotron X-ray diffraction and density functional theory to uncover the phase change and interpret its underlying nature. We demonstrate that an electric field-induced phase transition between orthorhombic and tetragonal phases triggers a dramatic volume change and contributes to a huge effective piezoelectric coefficient of 1250 pm V −1 along specific crystallographic directions. The existence of the phase transition is validated by a significant volume change evidenced by the simultaneous recording of macroscopic longitudinal and transverse strain. The principle of using phase transition to promote electrostrain provides broader design flexibility in the development of high-performance piezoelectric materials and opens the door for the discovery of high-performance future functional oxides.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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