Ferroelectrics: Advances in fundamental studies and emerging applications

Description

Due to the structural and functional flexibility and complexity of ferroelectrics, the fundamental science and applications of this material family is continuously evolving. This reference text covers the most significant advances in the field of ferroelectrics over the past decade. The fundamental aspects describe studies based on first-principles calculations, multiscale simulation and ferroelectric models adapted from ferromagnetic counterparts. The experimental aspects describe advanced ferroelectric ceramics made from band-gap-engineered compositions pioneered in emerging multi-sensing and energy harvesting applications, topological defects in ferroelectrics for nanoelectronics, and the emergence of ferroelectricity in halide perovskites. The book links fundamental science to experiments and applications, which is urgently needed by ferroelectrics researchers who must gain knowledge in both aspects. Readers will uncover the latest verified research results and conclusions reached by well-known, pioneering and leading scientists in each of the topics. Key Features Covers the most significant new developments in ferroelectrics research, including fundamental studies and emerging applications Links fundamental aspects such as modelling with practical aspects such as microstructure and applications, providing a holistic view that is increasingly needed as ferroelectrics research moves towards simulation-guided experimental validations Includes case studies, worked examples and end-of-chapter summaries Discusses applications including the use of ferroelectric materials in multi-sensing and energy harvesting applications, nanoelectronics, advanced electronics and halide perovskites PRELIMS.pdf Preface Acknowledgements Editor biographies Dr Yang Bai Dr Ilya Grinberg List of contributors List of abbreviations CH001.pdf Chapter 1 Introduction 1.1 Spontaneous polarization and phase transition 1.2 Domain, domain wall and ferroelectric switching 1.3 Piezoelectric and pyroelectric effects 1.4 Halide perovskites and ferroelectric microelectronics Reference CH002.pdf Chapter 2 Theoretical advances in understanding complex ferroelectrics 2.1 Brief history and overview of complex ferroelectrics 2.2 Fundamental chemistry and physics of ABO3 ferroelectrics 2.3 Understanding the basic ordered five-atom structure 2.4 Compositional phase transitions 2.5 Ferroelectric-to-paraelectric transition and the Curie temperature 2.6 Coercive field 2.7 Perspective and future directions References CH003.pdf Chapter 3 Multiscale simulations of ferroelectric oxides 3.1 Rationale of a multiscale approach 3.2 Molecular dynamics 3.2.1 Shell model 3.2.2 Bond valence model 3.2.3 Deep potential 3.3 Phase field model 3.4 Machine learning 3.5 Multiscale modeling of ferroelectric switching 3.6 Challenges and perspectives Acknowledgments References CH004.pdf Chapter 4 Functional simulation of ferroelectric materials 4.1 Nonlinearity in ferroelectrics 4.2 Experimental setup for the hysteresis loop measurement 4.3 Simulation methods 4.3.1 Quasi-static contribution 4.3.2 Dynamic contribution: extension of the quasi-static contribution to the dynamic behaviour 4.3.3 Temperature effect 4.3.4 Light effect 4.3.5 Stress effect 4.4 Summary References CH005.pdf Chapter 5 Photoferroelectrics and energy harvesting 5.1 History and rationale of light–ferroelectric interaction 5.2 Solid-state physics from the ferroelectric aspect—what is photoferroelectrics? 5.2.1 Conductivity and band gap 5.2.2 Photo-excited and photo-stimulated domain wall motion 5.2.3 Bulk photovoltaic effect and ferroelectric photovoltaics 5.3 Band gap engineering of ferroelectrics 5.3.1 Why do good ferroelectrics have wide band gaps? 5.3.2 Band gap engineering strategies 5.3.3 Counterfeit band gaps in ferroelectric ceramics 5.4 Multi-source energy harvesting/sensing based on photoferroelectrics 5.4.1 The unique opportunity to unify piezoelectric, pyroelectric and photovoltaic energy harvesters/sensors in single ferroelectric materials 5.4.2 Integrated energy harvesters/sensors 5.5 Summary and perspectives References CH006.pdf Chapter 6 Topological defects in ferroelectrics 6.1 Topological defects 6.2 Domain walls 6.2.1 General properties 6.2.2 Functionality in nanoelectronics 6.3 Vortex and vertex structures 6.3.1 Patterns in nanoislands and heterostructures 6.3.2 Manipulation and properties 6.4 Polar skyrmions 6.4.1 Strain engineering in heterostructures 6.4.2 Emerging functionality 6.5 Topological defects in van der Waals ferroelectrics 6.6 Summary and outlook References CH007.pdf Chapter 7 Ferroelectricity in halide perovskites 7.1 The rise of halide perovskites and their applications 7.1.1 Halide perovskites 7.1.2 Common applications for halide perovskites 7.2 Controversy around ferroelectricity in methylammonium lead iodide 7.3 Challenges for measuring ferroelectric nanostructures in methylammonium lead iodide 7.4 Implications of ferroelectricity in light absorbing semiconductors 7.5 What is next for metal halide perovskites? 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