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Enhanced piezoelectric properties and depolarization temperature in textured(Bi_(0.5)Na_(0.5))TiO_(3)-based ceramics via homoepitaxial templated grain growth

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Journal of Materials Science & Technology 2024年第9期176卷 91-98页

作者： Yaqing Ma Linjing Liu Hang Xie Zerui Zhang Qiangwei Kou Rui Lv Bin Yang Yunfei Chang Fei Li Functional Materials and Acousto-Optic Instruments Institute School of Instrumentation Science and EngineeringHarbin Institute of TechnologyHarbin 150080China Electronic Materials Research Laboratory(Key Lab of Education Ministry) State Key Laboratory for Mechanical Behavior of Materials and School of Electronic Science and EngineeringXi’an Jiaotong UniversityXi’an 710049China

Enhanced piezoelectric response was usually achieved in(Bi_(0.5) Na_(0.5))TiO_(3)(BNT)-based ceramics with sacrifice of depolarization temperature T_(d),seriously limiting their usage range in electromechanical *** this work,we propose to explore piezoelectric anisotropy and domain engineering in compositionµstructure-controlled textured ceramics to resolve this issue.[001]c-textured 0.94(Bi_(0.5) Na_(0.5))TiO_(3)–0.06BaTiO_(3)(0.94BNT-0.06BT)ceramics with Lotgering factor F_(001)-91% were fabricated through homoepitaxial templated grain growth(TGG)via using 0.94BNT-0.06BT microplatelet *** textured samples exhibited more ordered domains with facilitated domain switching behavior,being consistent with saturated high polarization achieved at lower electric *** F_(001) to above 60%enables rapid enhancement of piezoelectric ***,compared to non-textured counterpart,the maximally textured ceramics exhibited-236%enhanced piezoelectric coefficient(d_(33)-302 pC/N)and-280% enhanced piezoelectric voltage coefficient(g_(33)-49.8×10^(−3)Vm/N),together with slightly increased depolarization temperature(T_(d)-106℃).Moreover,those values are approaching or even higher than the single-crystal *** work not only provides important guidelines for design and synthesis of novel textured ceramics with improved comprehensive electrical properties,but also can expand application fields of BNT-based ceramics.

关键词： Lead-free ceramics Templated grain growth Piezoelectric coefficient Depolarization temperature domain dynamics

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Deep-learning enabled atomic insights into the phase transitions and nanodomain topology of lead-free(K,Na)NbO_(3) ferroelectrics

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Science China Materials 2024年第9期67卷 3029-3038页

作者： Xu Zhang Bei Li Ji Zou Hanxing Liu Ben Xu Kai Liu School of Materials Science and Engineering Research Center for Materials Genome EngineeringWuhan University of TechnologyWuhan430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China International School of Materials Science and Engineering Wuhan University of TechnologyWuhan430070China Graduate School China Academy of Engineering PhysicsBeijing100193China

Lead-free K_(x)Na_(1-x)NbO_(3)(KNN)perovskites have garnered increasing attention due to their exceptional ferropiezoelectric properties,which are effectively tuned via polymorphic structures and domain ***,atomic insights into the underlying nanomechanisms governing the ferroelectricity of KNNs amidst varying factors such as composition,phase,and domain are still ***,we perform molecular dynamics simulations of phase transitions and domain dynamics for KNNs with various K/Na ratios(x=0.25∼1.0)by using ab-initio accuracy deep learning potential(DP).As a demonstration of its transferability,the newly developed DP model shows quantum accuracy in terms of the equation of states,elastic constants,and phonon dispersion relations for various KNbO_(3)and K_(0.5)Na_(0.5)NbO_(3).Furthermore,intricate temperature-dependent phase transitions and domain formation of KNNs are extensively and quantitatively *** indicate that for KNNs with compositions x ranging from 0.25 to 1.0,the paraelectric-to-ferroelectric phase transition of KNNs is driven primarily by the order-disorder effect,while the displacive effect is dominant in the subsequent ferroelectric phase ***,flux-closure or herringbone-like nanodomain patterns arranged with 90°domain walls formed close to the experimental *** analyses reveal that favorable 90°domain wall formation becomes more challenging with increasing Na content due to distinct oxygen octahedron distortion arising from the different ionic radii of K/Na *** is envisioned that the combination of unified DP and atomistic simulations will help offer a robust solution for more accurate and efficient in silico explorations of complex structural,thermodynamic,and ferroelectric properties for relevant energy storage and conversion materials.

关键词： KNN molecular dynamics deep potential phase transitions domain dynamics

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