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Thesis on ferroelectrics

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From: James A.
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Added: 30.03.2021
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Zhigang Ban , University of Connecticut. Thermodynamic modeling based on the Landau-Ginzburg-Devonshire theory has been performed for epitaxial ferroelectric thin films and polarization graded ferroelectrics. The dielectric response, tunability and pyroelectric properties of the films are calculated as a function of the misfit strain. Analysis shows that high dielectric response, tunability, and pyroelectric coefficient can be achieved by adjusting the misfit strain especially in the vicinity of a structural phase transformation. Theoretical approach not only predicts general trends, but is also in good quantitative agreement with the experimental data reported in the literature. The stress relaxation by the formation of misfit dislocations is taken into account.
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"Thermodynamic modeling of ferroelectric epitaxial films and polarizati" by Zhigang Ban

Dissertation Ph. The central goal of this study is to develop a reliable self-consistent model to describe the constitutive behavior of polycrystalline ferroelectrics and to predict their lattice strain and texture evolution. Starting with the model developed by Huber et al. These refinements include methods for calculating lattice strain, tracking the number of domains contributing to diffraction patterns, locking the domain switching at a specified level, inputting initial grain orientation distribution, and a correction for a major flaw in the previous model: the phenomenon of reverse domain switching. It was found that the data analysis required a close inspection due to lattice strain anisotropy and leading to a systematic study of different analysis methods: the single peak method, the regular whole-pattern Rietveld method with no strain anisotropy , and the improved Rietveld method which offers limited strain anisotropy analysis. The latter was judged to be the most appropriate for ferroelectrics and it was further improved by new formulations to permit lattice strain anisotropy analysis for tetragonal and hexagonal crystal structures. The level of agreement between the model and the experimental data was satisfactory, particularly considering the relative simplicity of the model.
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Ferroelectricity

Thermodynamic modeling based on the Landau-Ginzburg-Devonshire theory has been performed for epitaxial ferroelectric thin films and polarization graded ferroelectrics. The dielectric response, tunability and pyroelectric properties of the films are calculated as a function of the misfit strain. Analysis shows that high dielectric response, tunability, and pyroelectric coefficient can be achieved by adjusting the misfit strain especially in the vicinity of a structural phase transformation. Theoretical approach not only predicts general trends, but is also in good quantitative agreement with the experimental data reported in the literature.
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Ferroelectricity is a property observed in certain materials characterized by the presence of a spontaneous electric polarization without the presence of an electric field, much like how ferromagnetism is characterized by a spontaneous, permanent magnetic field. A subclass of piezoelectric and pyroelectric materials, ferroelectric materials are noncentrosymmetric crystals, where some atoms in the unit cell are misplaced to create a permanent electric dipole due to the imbalances observed in the distribution of electric charge. Barium titanate BaTiO 3 , a common ferroelectric material with the perovskite crystal structure, portrays this property by displacing the titanium ion at body center 0. Ferroelectricity is a displacive phenomenon where ions within the unit cell are placed asymmetrically, creating dipole moments.
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