Phase-field Simulations of Topological Structures and Topological Phase Transitions in Ferroelectric Oxide Heterostructures


Book Description

Ferroelectrics are materials that exhibit spontaneous electric polarization which can be switched between energy-degenerated states by external stimuli (e.g., mechanical force and electric field) that exceeds a critical value. They have wide potential applications in memories, capacitors, piezoelectric and pyroelectric sensors, and nanomechanical systems. Topological structures and topological phase transitions have been introduced to the condensed matter physics in the past few decades and have attracted broad attentions in various disciplines due to the rich physical insights and broad potential applications. Ferromagnetic topological structures such as vortex and skyrmion are known to be stabilized by the antisymmetric chiral interaction (e.g., Dzyaloshinskii-Moriya interaction). Without such interaction, ferroelectric topological structures (i.e., vortex, flux-closure, skyrmions, and merons) have been studied only recently with other designing strategies, such as reducing the dimension of the ferroelectrics. The overarching goal of this dissertation is to investigate the topological structures in ferroelectric oxide perovskites as well as the topological phase transitions under external applied forces.Pb(Zr,Ti)O3 (PZT) with morphotropic phase boundary is widely explored for high piezoelectric and dielectric properties. The domain structure of PZT tetragonal/rhombohedral (T/R) bilayer is investigated. Strong interfacial coupling is shown, with large polarization rotation to a lower symmetry phase near the T/R interface. Interlayer domain growth can also be captured, with T-domains in the R layer and R-domains in the T layer. For thin PZT bilayer with 5nm of T-layer and 20 nm of R-layer, the a1/a2 twin domain structure is formed in the top T layer, which could be fully switched to R domains under applied bias. While a unique flux-closure pattern is observed both theoretically and experimentally in the thick bilayer film with 50 nm of thickness for both T and R layers. It is revealed that the bilayer system could facilitate the motion of the ferroelastic a-domain in the top T-layer since the a-domain is not directly embedded in the substrate with high density of defects which can pin the domain wall. Excellent dielectric and piezoelectric responses are demonstrated due to the large polarization rotation and the highly mobile domain walls in both the thick and thin bilayer systems.The long-range ordered polar vortex array is observed in the (PbTiO3)n/(SrTiO3)n (PTOn/STOn with n=10~20) superlattices with combined experimental and theoretical studies. Phase-field simulations reveal the three-dimensional textures of the polar vortex arrays. The neighboring vortices rotate in the opposite directions, which extended into tube-like vortex lines perpendicular to the vortex plane. The thickness-dependent phase diagram is predicted and verified by experimental observations. The energetics (the contributions from elastic, electrostatic, gradient and Landau chemical energies) accompanying the phase transitions are analyzed in details. The dominating depolarization energy at short periodicity (n10) favors a1/ a2 twin domain, while the large elastic relaxation and Landau energy reduction at large periodicity (n20) leads to the formation of flux-closure domain with both 90o a/c domain walls and 180o c+/c- domain walls, counterbalancing of the individual energies at intermediate periodicities (n=10~20) gives rise to the formation of exotic vortex structure with continuous polarization rotation surrounding a singularity-like vortex core. Analytical calculations are performed, showing that the stability of the polar vortex structure is directly related to the length of Pi times bulk domain wall width, where vortex structure can be expected when the geometric length scale of the ferroelectrics is close to this value. The role of insulating STO is further revealed, which shows that a rich phase diagram can be formed by simply tuning the thickness of this layer. Wave-like polar spiral phase is simulated by substituting part of the PTO with BiFeO3 (BFO) in the PTO/STO superlattice (i.e., in a (PTO)4/(BFO)4/(PTO)4/(STO)12 tricolor system) which has demonstrate ordered polar vortex lattice. This spiral phase is made up of semi-vortex cores that are floating up-down in the ferroelectric PTO layers, giving rise to a net in-plane polarization. An increase of Curie temperature and topological to regular domain transition temperature (over 200 K) is observed, due to the higher Curie temperature and larger spontaneous polarization in BFO layers. This unidirectional spiral state can be reversibly switched by experimentally feasible in-plane field, which evolves into a metastable vortex structure in-between two spiral phases with opposite in-plane directions.The switching of polar vortex lattice under capacitor field for the (PTO)16/(STO)16 superlattice is studied, which reveals the existence of polar skyrmion state at intermediate applied bias. This is akin to the Rayleigh-Plateau instability in the fluid mechanics. A similar phenomenon is experimentally observed in the ferromagnetic system recently. The skyrmion-like structure will shrink with the further increasing of applied bias after saturation and eventually disappear given sufficiently large bias, leading to the formation of ferroelectric/ferroelastic twin domains with distinct 90o domain walls. Dimensionality cross-over is demonstrated, where a 1-D vortex core structure can be switched to the 2-D domain wall by the joint of two vortices with opposite curls. Electric-field phase diagram is plotted, showing a wide electric field region which could stabilize the metastable polar skyrmion state. This could serve as a road map for the experimental observation of the ferroelectric skyrmion state.




Topological Phase Transitions And New Developments


Book Description

Geometry and topology have been a fascination in physics since the start of the 20th century. A leading example is Einstein's geometrical theory of gravity. At the beginning of the 1970s, topological ideas entered areas of condensed matter physics. These advances were driven by new seminal ideas resolving a serious contradiction between experiment and the standard interpretation of a rigorous mathematical theorem which led to the study of new exotic topological phases of matter. Topological defect driven phase transitions in thin, two dimensional films of superfluids, superconductors and crystals have provided great insight into the mechanism governing these topological phases present in those physical systems. Moreover, many of these topological properties remain 'protected' against disorder and topological distortion perturbations. An example of possible applications of such robustness to perturbations is in the search for encoding information in quantum computers, potentially providing the platform for fault-tolerant quantum computations.In the past four decades, the discovery of topological phases engendered great interest in condensed matter physics. It also attracted the attention of researchers working on quantum information, quantum materials and simulations, high energy physics and string theory. This unique volume contains articles written by some of the most prominent names in the field, including Nobel Laureate John Michael Kosterlitz and Professor Jorge V José. They originate from talks and discussions by leading experts at a recent workshop. They review previous works as well as addressing contemporary developments in the most pressing and important issues on various aspects of topological phases and topological phase transitions.







Topological Defects and the Non-Equilibrium Dynamics of Symmetry Breaking Phase Transitions


Book Description

Topological defects formed at symmetry-breaking phase transitions play an important role in many different fields of physics. They appear in many condensed-matter systems at low temperature; examples include vortices in superfluid helium-4, a rich variety of defects in helium-3, quantized mag netic flux tubes in type-II superconductors, and disclination lines and other defects in liquid crystals. In cosmology, unified gauge theories of particle interactions suggest a sequence of phase transitions in the very early uni verse some of which may lead to defect formation. In astrophysics, defects play an important role in the dynamics of neutron stars. In 1997 the European Science Foundation started the scientific network "Topological defects" headed by Tom Kibble. This network has provided us with a unique opportunity of establishing a collaboration between the representatives of these very different branches of modern physics. The NATO-ASI (Advanced Study Institute), held in Les Houches in February 1999 thanks to the support of the Scientific Division of NATO, the European Science Foundation and the CNRS, represents a key event of this ESF network. It brought together participants from widely different fields, with diverse expertise and vocabulary, fostering the exchange of ideas. The lectures given by particle physicists, cosmologists and condensed matter physicists are the result of the fruitful collaborations established since 1997 between groups in several European countries and in the U.S.A.










Molecular Beam Epitaxy


Book Description

Molecular Beam Epitaxy (MBE): From Research to Mass Production, Second Edition, provides a comprehensive overview of the latest MBE research and applications in epitaxial growth, along with a detailed discussion and ‘how to’ on processing molecular or atomic beams that occur on the surface of a heated crystalline substrate in a vacuum. The techniques addressed in the book can be deployed wherever precise thin-film devices with enhanced and unique properties for computing, optics or photonics are required. It includes new semiconductor materials, new device structures that are commercially available, and many that are at the advanced research stage. This second edition covers the advances made by MBE, both in research and in the mass production of electronic and optoelectronic devices. Enhancements include new chapters on MBE growth of 2D materials, Si-Ge materials, AIN and GaN materials, and hybrid ferromagnet and semiconductor structures. Condenses the fundamental science of MBE into a modern reference, speeding up literature review Discusses new materials, novel applications and new device structures, grounding current commercial applications with modern understanding in industry and research Includes coverage of MBE as mass production epitaxial technology and how it enhances processing efficiency and throughput for the semiconductor industry and nanostructured semiconductor materials research community




Ferroelectric Thin Films


Book Description

The impetus for the rapid development of thin film technology, relative to that of bulk materials, is its application to a variety of microelectronic products. Many of the characteristics of thin film ferroelectric materials are utilized in the development of these products - namely, their nonvolatile memory and piezoelectric, pyroelectric, and electro-optic properties. It is befitting, therefore, that the first of a set of three complementary books with the general title Integrated Ferroelectric Devices and Technologies focuses on the synthesis of thin film ferroelectric materials and their basic properties. Because it is a basic introduction to the chemistry, materials science, processing, and physics of the materials from which integrated ferroelectrics are made, newcomers to this field as well as veterans will find this book self-contained and invaluable in acquiring the diverse elements requisite to success in their work in this area. It is directed at electronic engineers and physicists as well as process and system engineers, ceramicists, and chemists involved in the research, design, development, manufacturing, and utilization of thin film ferroelectric materials.




Multifunctional Oxide Heterostructures


Book Description

This book is devoted to the rapidly developing field of oxide thin-films and heterostructures. Oxide materials combined with atomic-scale precision in a heterostructure exhibit an abundance of macroscopic physical properties involving the strong coupling between the electronic, spin, and structural degrees of freedom, and the interplay between magnetism, ferroelectricity, and conductivity. Recent advances in thin-film deposition and characterization techniques made possible the experimental realization of such oxide heterostructures, promising novel functionalities and device concepts. The book consists of chapters on some of the key innovations in the field over recent years, including strongly correlated oxide heterostructures, magnetoelectric coupling and multiferroic materials, thermoelectric phenomena, and two-dimensional electron gases at oxide interfaces. The book covers the core principles, describes experimental approaches to fabricate and characterize oxide heterostructures, demonstrates new functional properties of these materials, and provides an overview of novel applications.




Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics


Book Description

The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.