Contents Preface IX Part 1 Characterization: Structural Aspects 1 Chapter 1 Structural Studies in Perovskite Ferroelectric Crystals Based on Synchrotron Radiation Analysis Techniques
Trang 1FERROELECTRICS - CHARACTERIZATION
AND MODELING Edited by Mickặl Lallart
Trang 2Ferroelectrics - Characterization and Modeling
Edited by Mickặl Lallart
Published by InTech
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Trang 3free online editions of InTech
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Trang 5Contents
Preface IX Part 1 Characterization: Structural Aspects 1
Chapter 1 Structural Studies in
Perovskite Ferroelectric Crystals Based
on Synchrotron Radiation Analysis Techniques 3
Jingzhong Xiao
Chapter 2 Near-Field Scanning Optical Microscopy
Applied to the Study of Ferroelectric Materials 23
Josep Canet-Ferrer and Juan P Martínez-Pastor Chapter 3 Internal Dynamics of the
Ferroelectric (C 3 N 2 H 5 ) 5 Bi 2 Cl 11 Studied by 1 H NMR and IINS Methods 41
Krystyna Hołderna-Natkaniec, Ryszard Jakubas and Ireneusz Natkaniec Chapter 4 Structure – Property Relationships of Near-Eutectic
BaTiO 3 – CoFe 2 O 4 Magnetoelectric Composites 61
Rashed Adnan Islam, Mirza Bichurin and Shashank Priya Chapter 5 Impact of Defect Structure on
’Bulk’ and Nano-Scale Ferroelectrics 79
Emre Erdem and Rüdiger-A Eichel Chapter 6 Microstructural Defects in
Ferroelectrics and Their Scientific Implications 97
Duo Liu
Part 2 Characterization: Electrical Response 115
Chapter 7 All-Ceramic Percolative
Composites with a Colossal Dielectric Response 117
Vid Bobnar, Marko Hrovat, Janez Holc and Marija Kosec
Trang 6VI Contents
Chapter 8 Electrical Processes in Polycrystalline BiFeO 3 Film 135
Yawei Li, Zhigao Hu and Junhao Chu
Chapter 9 Phase Transitions in
Layered Semiconductor - Ferroelectrics 153
Andrius Dziaugys, Juras Banys, Vytautas Samulionis, Jan Macutkevic, Yulian Vysochanskii,
Vladimir Shvartsman and Wolfgang Kleemann Chapter 10 Non-Linear Dielectric Response of
Ferroelectrics, Relaxors and Dipolar Glasses 181
Seweryn Miga, Jan Dec and Wolfgang Kleemann
Chapter 11 Ferroelectrics Study at Microwaves 203
Yuriy Poplavko, Yuriy Prokopenko,
Vitaliy Molchanov and Victor Kazmirenko
Part 3 Characterization: Multiphysic Analysis 227
Chapter 12 Changes of Crystal Structure and Electrical Properties
with Film Thickness and Zr/(Zr+Ti) Ratio for Epitaxial Pb(Zr,Ti)O 3 Films Grown on (100) c SrRuO 3 //(100)SrTiO 3 Substrates by Metalorganic Chemical Vapor Deposition 229
Mohamed-Tahar Chentir, Hitoshi Morioka, Yoshitaka Ehara, Keisuke Saito, Shintaro Yokoyama,
Takahiro Oikawa and Hiroshi Funakubo
Chapter 13 Double Hysteresis Loop in
BaTiO 3 -Based Ferroelectric Ceramics 245
Sining Yun
Chapter 14 The Ferroelectric Dependent
Magnetoelectricity in Composites 265
L R Naik and B K Bammannavar
Chapter 15 Characterization of Ferroelectric
Materials by Photopyroelectric Method 281
Dadarlat Dorin, Longuemart Stéphane and Hadj Sahraoui Abdelhak
Chapter 16 Valence Band Offsets of ZnO/SrTiO 3 , ZnO/BaTiO 3 ,
InN/SrTiO 3 , and InN/BaTiO 3 Heterojunctions Measured by X-Ray Photoelectron Spectroscopy 305
Caihong Jia, Yonghai Chen, Xianglin Liu,
Shaoyan Yang and Zhanguo Wang
Part 4 Modeling: Phenomenological Analysis 325
Chapter 17 Self-Consistent Anharmonic
Theory and Its Application to BaTiO 3 Crystal 327
Yutaka Aikawa
Trang 7Contents VII
Chapter 18 Switching Properties of Finite-Sized Ferroelectrics 349
L.-H Ong and K.-H Chew
Chapter 19 Intrinsic Interface Coupling in
Ferroelectric Heterostructures and Superlattices 373
K.-H Chew, L.-H Ong and M Iwata
Chapter 20 First-Principles Study of ABO3 :
Role of the B–O Coulomb Repulsions
for Ferroelectricity and Piezoelectricity 395
Kaoru Miura
Chapter 21 Ab Initio Studies of
H-Bonded Systems: The Cases of
Ferroelectric KH 2 PO 4 and Antiferroelectric NH 4 H 2 PO 4 411
S Koval, J Lasave, R L Migoni, J Kohanoff and N S Dalal
Chapter 22 Temperature Dependence
of the Dielectric Constant Calculated
Using a Mean Field Model Close to the
Smectic A - Isotropic Liquid Transition 437
H Yurtseven and E Kilit
Chapter 23 Mesoscopic Modeling of
Ferroelectric and Multiferroic Systems 449
Thomas Bose and Steffen Trimper
Chapter 24 A General Conductivity Expression
for Space-Charge-Limited Conduction in
Ferroelectrics and Other Solid Dielectrics 467
Ho-Kei Chan
Part 5 Modeling: Nonlinearities 491
Chapter 25 Nonlinearity and Scaling
Behavior in a Ferroelectric Materials 493
Abdelowahed Hajjaji, Mohamed Rguiti, Daniel Guyomar,
Yahia Boughaleb and Christan Courtois
Chapter 26 Harmonic Generation in Nanoscale Ferroelectric Films 513
Jeffrey F Webb
Chapter 27 Nonlinear Hysteretic
Response of Piezoelectric Ceramics 537
Amir Sohrabi and Anastasia Muliana
Chapter 28 Modeling and Numerical
Simulation of Ferroelectric Material
Behavior Using Hysteresis Operators 561
Manfred Kaltenbacher and Barbara Kaltenbacher
Trang 9Preface
Ferroelectricity has been one of the most used and studied phenomena in both tific and industrial communities Properties of ferroelectrics materials make them par-ticularly suitable for a wide range of applications, ranging from sensors and actuators
scien-to optical or memory devices Since the discovery of ferroelectricity in Rochelle Salt (which used to be used since 1665) in 1921 by J Valasek, numerous applications using such an effect have been developed First employed in large majority in sonars in the middle of the 20th century, ferroelectric materials have been able to be adapted to more and more systems in our daily life (ultrasound or thermal imaging, accelerometers, gy-roscopes, filters…), and promising breakthrough applications are still under develop-ment (non-volatile memory, optical devices…), making ferroelectrics one of tomor-row’s most important materials
The purpose of this collection is to present an up-to-date view of ferroelectricity and its applications, and is divided into four books:
• Material Aspects, describing ways to select and process materials to make
them ferroelectric
• Physical Effects, aiming at explaining the underlying mechanisms in
ferroelec-tric materials and effects that arise from their particular properties
• Characterization and Modeling, giving an overview of how to quantify the
mechanisms of ferroelectric materials (both in microscopic and macroscopic approaches) and to predict their performance
• Applications, showing breakthrough use of ferroelectrics
Authors of each chapter have been selected according to their scientific work and their contributions to the community, ensuring high-quality contents
The present volume aims at exposing characterization methods and their application
to assess the performance of ferroelectric materials, as well as presenting innovative approaches for modeling the behavior of such devices
The book is decomposed into five sections, including structural and microstructural characterization (chapters 1 to 6), electrical characterization (chapters 7 to 11), multiphysic characterization (chapters 12 to 16), phenomenological approaches for modeling the
Trang 10X Preface
behavior of ferroelectric materials (chapters 17 to 24), and nonlinear modeling (chapters
25 to 28)
I sincerely hope you will find this book as enjoyable to read as it was to edit, and that
it will help your research and/or give new ideas in the wide field of ferroelectric rials
mate-Finally, I would like to take the opportunity of writing this preface to thank all the thors for their high quality contributions, as well as the InTech publishing team (and especially the publishing process manager, Ms Silvia Vlase) for their outstanding support
au-June 2011
Dr Mickặl Lallart
INSA Lyon, Villeurbanne
France
Trang 13Part 1
Characterization: Structural Aspects
Trang 151
Structural Studies in Perovskite Ferroelectric Crystals Based
on Synchrotron Radiation Analysis Techniques
Jingzhong Xiao1,2
1CEMDRX, Department of Physics, University of Coimbra, Coimbra,
2International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang,
d33>2000pC/N and k33≈94%, which have attracted tremendous interests and still make these materials very hot
However, the origin and structural nature of their ultrahigh performances remains one inquisitive but obscure subject of recent scientific interest.To better understand the structural nature of the outstanding properties, it is very important for investigating the ferroelectric domain structure in these materials In ferroelectrics, according to the electrical and mechanical compatibility conditions, domain structures of 180o and non-180o will form with respect to crystal symmetry There is a closely relationship between the domain structure and the crystal symmetry Through the observation on ferroelectric domain configurations, the crystal structures can be confirmed Ferroelectric domains are homogenous regions within ferroelectric materials in which polarizations lie along one direction, that influence the piezoelectric and ferroelectric properties of the materials for utilization in memory devices, micro-electromechanical systems, etc Understanding the role
of domain structure on properties relies on microscopy methods that can inspect the domain configuration and reveal the evolution or the dynamic behaviour of domain structure
It is also well known that the key to solve this issue of exploring the origin of the excellent properties is to reveal the peculiar complex perovskite crystal structures in these materials Through study in structure behavior under high-pressure and local structure at atomic level will be helpful for better understanding this problem
Trang 16Ferroelectrics - Characterization and Modeling
of ultrahigh-performance in these materials, in this chapter, the novel X-ray analysis techniques based on synchrotron radiation light, such as synchrotron radiation X-Ray topography, high-pressurein situ synchrotron radiation energy dispersive diffraction, and XAFS method, are utilized to investigate the domain configuration, structure and their evolution behavior induced by temperature changes and external field
2.1 Application of white beam synchrotron radiation X-ray topography for in-situ study of ferroelectric domain structures
Ferroelectric domains can be observed by various imaging techniques such as optical microscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray imaging, and etc Imaging is normally associated with lenses Unlike visible light or electrons, however, efficient lenses are not available for hard X-rays, essentially because they interact weakly with matter Comparatively as an X-ray imaging method, X-ray topography plays a vital role in providing a better understanding of ferroelectric domain structure.[6] X-rays are more penetrating than photons and electrons, and the advent of synchrotron radiation with good collimation, a continuous spectrum (white beam) and high intensity has given X-ray topography additional powers The diffraction image contrast in X-ray topographs can be accessed from variations in atomic interplanar spacings or interference effects between X-ray and domain boundaries so that domain structure can be directly observed (with a micrometer resolution) Especially, via a white beam synchrotron radiation X-ray diffraction topography technique (WBSRT), one can study the dynamic behaviour of domain structure and phase evolution in ferroelectric crystals respectively induced by the changes of sample temperature, applied electric field, and other parameter changes
In this chapter, a brief introduction to principles for studying ferroelectric domain structure by X-ray diffraction imaging techniques is provided The methods and devices for in-situ studying domain evolution by WBSR are delineated Several experimental results on dynamic behavior of domain structure and induced phase transition in ferroelectric crystals accessed at beam line 4W1A of the Beijing Synchrotron Radiation Laboratory (BSRL) are introduced
2.1.1 Principle of synchrotron radiation X-ray topography
a X-ray topography approach
X-ray diffraction topography is an imaging technique based on Bragg diffraction In the last decades, X-ray diffraction topography to characterize crystals for the microelectronics industry were developed and completely renewed by the modern synchrotron radiation sources [6]
Its images (topographs) record the intensity profile of a beam of X-rays diffracted by a crystal A topograph thus represents a two-dimensional spatial intensity mapping of reflected X-rays, i.e the spatial fine structure of a Bragg spot This intensity mapping reflects the distribution of scattering power inside the crystal; topographs therefore reveal the
Trang 17Structural Studies in Perovskite Ferroelectric
Crystals Based on Synchrotron Radiation Analysis Techniques 5 irregularities in a non-ideal crystal lattice The basic working principle of diffraction topography is as follows: An incident, spatially extended X-ray beam impinges on a sample,
as shown in Fig.1 The beam may be either monochromatic, or polychromatic (i.e be composed of a mixture of wavelengths (white beam topography)) Furthermore, the incident beam may be either parallel, consisting only of rays propagating all along nearly the same direction, or divergent/convergent, containing several more strongly different directions of propagation
Fig 1 The scheme of basic principle of diffraction topography
A homogeneous sample (with a regular crystal lattice) would yield a homogeneous intensity distribution in the topograph (a "flat" image) Intensity modulations (topographic contrast) arise from irregularities in the crystal lattice, originating from various kinds of defects such
as cracks, surface scratches, dislocations, grain boundaries, domain walls, etc Theoretical descriptions of contrast formation in X-ray topography are largely based on the dynamical theory of diffraction This framework is helpful in the description of many aspects of topographic image formation: entrance of an X-ray wave-field into a crystal, propagation of the wave-field inside the crystal, interaction of wave-field with crystal defects, altering of wave-field propagation by local lattice strains, diffraction, multiple scattering, absorption Theoretical calculations, and in particular numerical simulations by computer based on this theory, are thus a valuable tool for the interpretation of topographic images Contrast formation in white beam topography is based on the differences in the X-ray beam intensity diffracted from a distorted region around the defect compared with the intensity diffracted from the perfect crystal region The image of this distorted region corresponds to an increased intensity (direct image) in the low absorption case
To conduct a topographic experiment, three groups of instruments are required: an x-ray source, potentially including appropriate x-ray optics; a sample stage with sample manipulator (diffractometer); and a two-dimensionally resolving detector (most often X-ray film or camera) The x-ray beam used for topography is generated by an x-ray source, typically either a laboratory x-ray tube (fixed or rotating) or a synchrotron source The latter offers advantages due to its higher beam intensity, lower divergence, and its continuous wavelength spectrum The topography technique combinning with a synchrotron source, is well adapted to in-situ experiments, where the material, in an adequate sample environment device, is imaged while an external parameter (temperature, electrical field, and etc) is changed