Cooperative kinetics of defects and domain structures in ferroelectrics
Final Report Abstract
The general objective of the project was to establish the main features of the formation and cooperative evolution of domain structures in ferroelectrics in the presence of mobile – ionic or electronic – charge carriers as well as electro-neutral elastic defects in the bulk or at the surface. In the course of studies, 1. the coupled evolution of the polarization domain structure and the distributions of the mobile charge defects (electrons, holes and oxygen vacancies) in the acceptor-doped tetragonal barium titanate was investigated in the framework of the Landau-Ginzburg- Devonshire (LGD) approach including, beyond polarization and electric field, piezoelectric, electrostrictive and flexoelectric coupling, that revealed a hierarchy of characteristic times related to different processes contributing to the material aging; 2. a continuum Landau-type model for strain-induced ordering of electrically neutral elastic defects (e.g. oxygen vacancies) in thin oxide films was developed revealing two defectordered phases, which are characterized by either parallel or perpendicular defect ordering in planes, and their phase diagrams in terms of the film-substrate mismatch strain and concentration of defects were calculated and analysed; 3. using the LGD approach, an influence of the misfit strain and surface screening charges as well as the role of the flexoelectric effect have been studied in the case of a rhombohedral lead zirconate titanate ferroelectric/ferroelastic thin film with an anisotropic misfit caused by a substrate; particularly, the spontaneous formation of stable and reproducible 3D polarization closure structures (skyrmions) near the top free surface of the film at high compressive misfit strains was established, which remained even in the absence of the flexoelectric effect as well as in the presence of a considerable surface screening; 4. a coupling between surface electrochemistry and intrinsic polar instabilities in antiferroelectrics was explored using the modified LGD thermodynamic approach in terms of the polar and antipolar order parameters supplemented by the Stephenson-Highland model of absorbed ions and vacancies at the surface; thereby the applications of the antiferroelectric films covered with a surface-ion layer for energy and information storage were quantitatively explored and discussed; 5. over and above the initial project objectives, the kinetics of the ferroelectric domain formation and switching was studied, particularly, the multi-step stochastic switching in multiaxial polycrystalline ferroelectrics and the stochastic formation of the domain structure in a uniaxial single-crystal ferroelectric.
Publications
-
Hierarchy of domain reconstruction processes due to charged defect migration in acceptor doped ferroelectrics. Acta Materialia, 184, 267-283.
Vorotiahin, Ivan S.; Morozovska, Anna N. & Genenko, Yuri A.
-
Mesoscopic theory of defect ordering–disordering transitions in thin oxide films. Scientific Reports, 10(1).
Morozovska, Anna N.; Eliseev, Eugene A.; Karpinsky, Dmitry V.; Silibin, Maxim V.; Vasudevan, Rama; Kalinin, Sergei V. & Genenko, Yuri A.
-
Phenomenological theory of defect driven flexo-chemical phenomena in ferroics. Ferroelectrics, 569(1), 62-69.
Eliseev, Eugene A.; Glinchuk, Maya D.; Genenko, Yuri A. & Morozovska, Anna N.
-
Control of Domain States in Rhombohedral Lead Zirconate Titanate Films via Misfit Strains and Surface Charges. Advanced Electronic Materials, 8(6).
Vorotiahin, Ivan S.; Morozovska, Anna N.; Eliseev, Eugene A. & Genenko, Yuri A.
-
Effect of Surface Ionic Screening on Polarization Reversal and Phase Diagrams in Thin Antiferroelectric Films for Information and Energy Storage. Physical Review Applied, 16(4).
Morozovska, Anna N.; Eliseev, Eugene A.; Biswas, Arpan; Morozovsky, Nicholas V. & Kalinin, Sergei V.
-
Multi-objective Bayesian optimization of ferroelectric materials with interfacial control for memory and energy storage applications. Journal of Applied Physics, 130(20).
Biswas, Arpan; Morozovska, Anna N.; Ziatdinov, Maxim; Eliseev, Eugene A. & Kalinin, Sergei V.
-
Multistep stochastic mechanism of polarization reversal in orthorhombic ferroelectrics. Physical Review B, 104(18).
Genenko, Y. A.; Zhang, M.-H.; Vorotiahin, I. S.; Khachaturyan, R.; Liu, Y.-X.; Li, J.-W.; Wang, K. & Koruza, J.
-
Ferroelectric polycrystals: Structural and microstructural levers for property-engineering via domain-wall dynamics. Progress in Materials Science, 136, 101101.
Schultheiß, J.; Picht, G.; Wang, J.; Genenko, Y.A.; Chen, L.Q.; Daniels, J.E. & Koruza, J.
-
Statistical correlations of random polarization and electric depolarization fields in ferroelectrics. Physical Review B, 108(13).
Genenko, Yuri A.; Mazur, Olga Y. & Stefanovich, Leonid I.
-
Stochastic theory of ferroelectric domain structure formation dominated by quenched disorder. Physical Review B, 107(14).
Mazur, Olga Y.; Stefanovich, Leonid I. & Genenko, Yuri A.
-
Universal kinetics of the stochastic formation of polarization domain structures in a uniaxial single-crystal ferroelectric. Physical Review B, 109(10).
Mazur, Olga Y.; Stefanovich, Leonid I. & Genenko, Yuri A.
