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Tuning the Polar States of Ferroelectric Films via Surface Charges and Flexoelectricity

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 نشر من قبل Anna Morozovska Nickolaevna
 تاريخ النشر 2017
  مجال البحث فيزياء
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Using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge of the specific nature (Bardeen-type surface states). Hence we consider the competition between the screening and the domain formation as alternative ways to reduce the electrostatic energy and reveal unusual peculiarities of distributions of polarization, electric and elastic fields conditioned by the surface screening length and the flexocoupling strength. We have established that the critical thickness of the film and its transition temperature to a paraelectric phase strongly depend on the Bardeen screening length, while the flexocoupling affects the polarization rotation and closure domain structure and induces ribbon-like nano-scale domains in the film depth far from the top open surface. Hence the joint action of the surface screening (originating from e.g. the adsorption of ambient ions or surface states) and flexocoupling may remarkably modify polar and electromechanical properties of thin ferroelectric films.



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Using the Landau-Ginzburg-Devonshire theory, an influence of the misfit strain and surface screening charges, as well as the role of the flexoelectric effect, have been studied by numerical modelling in the case of a rhombohedral lead zirconate-titan ate ferroelectric/ferroelastic thin film with an anisotropic misfit produced by a substrate. It was established that the magnitude and sign of the misfit strain influence the domain structure and predominant directions of the polarization vector, providing misfit-dependent phases with different favourable polarization components. Whilst strong enough compressive misfit strains favour a phase with an orthorhombic-like polarization directions, strong tensile misfits only yield in-plane polarization components. The strength of surface screening is seen to condition the existence of closure domain structures and, by increasing, supports the single-domain state depending on the value of the misfit strain. The flexoelectric effect exhibits a weak influence on the phase diagram of multi-domain states when compared with the phase diagram of single-domain states. Its effect, however, becomes significant in the case of skyrmion topological states, which spontaneously form near the film surface when compressive misfit strains are applied. Cooperative influence of the misfit strain, surface screening charges and temperature can set a thin rhombohedral ferroelectric film into a number of different polar and structural states, whereby the role of the flexoelectric effect is pronounced for topologically nontrivial structures.
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