Data-driven methods for discovery of next-generation electrostrictive materials

Trujillo, Dennis; Gurung, Ashok; Yu, Jiacheng; Nayak, Sanjeev K.; Alpay, S. P.; Janolin, Pierre‐Eymeric

doi:10.1038/s41524-022-00941-1

Cited by 4 publications

(3 citation statements)

References 49 publications

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“…[59] The oxygen-defective materials having both large electromechanical coefficients and low permittivity are regarded as a new class of electrostrictors -similar features were observed in polymer composites, protonated metal oxides, and lead halide perovskites. [59,[62][63][64] There is a remaining debate on the sign of field-induced electrostrictive strain in oxygen-defective oxides. For example, the sign of the field-induced strain was proposed to be negative (i.e., contracts along the direction parallel to the electric field applied) with an oxygen vacancy-mediated lattice contraction (electrostatic interactions).…”

Section: Electrostriction In Linear and Non-linear Dielectricsmentioning

confidence: 99%

Engineering of Electromechanical Oxides by Symmetry Breaking

Zhang

Vasiljevic

Bergne

et al. 2023

Adv Materials Inter

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Complex oxides exhibit a wide range of fascinating functionalities, such as ferroelectricity, piezoelectricity, and pyroelectricity, which are indispensable for cutting‐edge electronics, energy, and information technologies. The intriguing physical properties of these complex oxides arise from the complex interplay between lattice, orbital, charge, and spin degrees of freedom. Here, it is reviewed how electromechanical properties can be achieved/improved by artificially breaking the symmetry of centrosymmetric oxides via engineering thermodynamic variables such as stress, strain, electric field, and chemical potentials. The mechanisms that have been utilized to break the inherent symmetry of conventional materials that lead to novel functionalities and applications are explored. It is highlighted that access to “hidden phases,” which otherwise are prohibited, could uncover opportunities to host exotic properties, such as piezoelectricity, pyroelectricity, etc. This review not only reports how to engineer intrinsically nonpolar and centrosymmetric oxides for emergent properties, but also has implications for manipulating polar functional materials for better performance.

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Section: Electrostriction In Linear and Non-linear Dielectricsmentioning

confidence: 99%

Engineering of Electromechanical Oxides by Symmetry Breaking

Zhang

Vasiljevic

Bergne

et al. 2023

Adv Materials Inter

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“…Increase in the relative permittivity (and in turn measured conductivity) is possible due to two mechanisms: (i) decrease in the elastic modulus suggest significant chemical bond weakening, which will increase permittivity as predicted by Kramers-Kronig relations; (ii) increase in the concentration of Ce 3 + , which will increase the concentration of electrons in the conduction band. While the increase in the relative permittivity is consistent with the appearance of a localized Zr-4d electronic state within the CeO 2 band gap, predominantly between O-2p and Ce-5d orbitals, the decrease in elastic modulus cannot be correlated with any electronic structure change 35 (Figs. S8-3).…”

Section: Dielectric and Elastic Propertiesmentioning

confidence: 74%

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction

Varenik,

Xu,

et al. 2023

Nat Commun

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Electrostrictors, materials developing mechanical strain proportional to the square of the applied electric field, present many advantages for mechanical actuation as they convert electrical energy into mechanical, but not vice versa. Both high relative permittivity and reliance on Pb as the key component in commercial electrostrictors pose serious practical and health problems. Here we describe a low relative permittivity (<250) ceramic, ZrxCe1-xO2 (x < 0.2), that displays electromechanical properties rivaling those of the best performing electrostrictors: longitudinal electrostriction strain coefficient ~10−16 m2/V2; relaxation frequency ≈ a few kHz; and strain ≥0.02%. Combining X-ray absorption spectroscopy, atomic-level modeling and electromechanical measurements, here we show that electrostriction in ZrxCe1-xO2 is enabled by elastic dipoles produced by anharmonic motion of the smaller isovalent dopant (Zr). Unlike the elastic dipoles in aliovalent doped ceria, which are present even in the absence of an applied elastic or electric field, the elastic dipoles in ZrxCe1-xO2 are formed only under applied anisotropic field. The local descriptors of electrostrictive strain, namely, the cation size mismatch and dynamic anharmonicity, are sufficiently versatile to guide future searches in other polycrystalline solids.

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“…Clearly, the explanation posited for classical electrostrictors (that the saturation of the polarization causes the saturation of the strain under an electric field) can not be applied to non-classical ("giant") electrostrictors such as LAMOX as they remain linear dielectrics (see Figure 1d). Even though these "giant" electrostrictors have been studied from different angles, [33][34][35] only hypotheses have been put forward to explain their strain saturation. We show below that such behavior is explained when higher-order electromechanical coefficients are considered, thereby providing a unified description of the electromechanical strain saturation in both classical and non-classical electrostrictors.…”

Section: Harmonic Analysis Of Non-classical Electrostrictorsmentioning

confidence: 99%

Origin of the Apparent Electric‐Field Dependence of Electrostrictive Coefficients

Yu,

Zaki,

Mache

et al. 2024

Adv Materials Technologies

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Electrostrictive materials exhibit a strain that is proportional to the square of the induced polarization. In linear dielectrics where the permittivity is constant, this electromechanical strain is also proportional to the square of the electric field. However, under increasing amplitudes of the driving field, the electromechanical strain sometimes saturates; the electrostrictive coefficients therefore appear to depend on the amplitude of the electric field used to measure them. Here, a methodology showing that this apparent field dependence is a consequence of neglecting higher‐order electromechanical phenomena is presented. When these are taken into account, not only do the electrostrictive coefficients remain constant but the signs of the high‐order coefficients enable the prediction of the saturation behavior from a single measurement. This approach is illustrated on both classical and non‐classical (so‐called “giant”) electrostrictors.

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Data-driven methods for discovery of next-generation electrostrictive materials

Cited by 4 publications

References 49 publications

Engineering of Electromechanical Oxides by Symmetry Breaking

Engineering of Electromechanical Oxides by Symmetry Breaking

Lead-free Zr-doped ceria ceramics with low permittivity displaying giant electrostriction

Origin of the Apparent Electric‐Field Dependence of Electrostrictive Coefficients

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