Download or read book Modeling of Structural Elastic and Polar Properties of Organic and Inorganic Ferroelectrics written by Fu-Chang Sun and published by . This book was released on 2017 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational materials science has become an important branch of research with the advent of high performance computers and efficient algorithms. The viability of solving fundamental theories allows not only to understand experimental results, but predict properties of exotic materials or materials at extreme conditions. There exists fundamental theories that has been applied in different domains of length and time scales, where certain approximations are employed which enable improved performance with minimum compromise of accuracy. In this Thesis, various computational approaches at different length scales are considered to investigate different classes of organic and inorganic ferroelectric materials to describe structural-property relations. The in-plane and out-of-plane piezoelectric properties of (001) strontium titanate (SrTiO$_3$, STO) epitaxial thin films on pseudo-cubic (001) substrates are computed as a function of in-plane misfit strain. A nonlinear thermodynamic model is employed, which takes into account the appropriate mechanical boundary conditions, the electromechanical coupling between the polarization and the in-plane lattice mismatch, and the self-strains of the ferroelastic and ferroelectric phase transformations. The piezoelectric behavior of epitaxial STO films is described in various strain-induced ferroelectric phase fields in a temperature range from $-$50 to 50 $\degree$C. These results indicate that strain engineered STO films may be employed in a variety of sensor and actuator applications as well as surface acoustic wave devices and thin-film bulk acoustic resonators. Implementing the same technique, piezoelectric properties of epitaxial (001) barium strontium titanate (BST) films are computed as functions of composition, misfit strain, and temperature using a non-linear thermodynamic model. Results show that through adjusting in-plane strains, a highly adaptive rhombohedral ferroelectric phase can be stabilized at room temperature with outstanding piezoelectric response exceeding those of lead based piezoceramics. Furthermore, by adjusting the composition and the in-plane misfit, an electrically tunable piezoelectric response can be obtained in the paraelectric state. These findings indicate that strain engineered BST films can be utilized in the development of electrically tunable and switchable surface and bulk acoustic wave resonators. The theoretical model of ferroelectric bilayers using basic thermodynamics taking into account the appropriate electrical boundary conditions and electrostatic fields is present. We show that ferroelectric multilayers are not simple capacitors in series (CIS) and treating these as CIS may lead to misinterpretation of experimental results and to erroneous conclusions. The spontaneous polarization mismatch in ferroelectric/ferroelectric (FE/FE), FE/paraelectric (FE/PE), and FE/dielectric (FE/DE) bilayers results in a non-linear electrostatic coupling which produces significant deviations in the overall dielectric response if it is computed using the simple capacitor-in-series (CIS) model. Our results show that the CIS approach is a good approximation only for DE/DE multilayers and for FE heterostructures if the individual layers are electrostatically screened from each other. As a second method for this Thesis, classical molecular dynamics computations are considered to calculate the structural, elastic, and polar properties of crystalline ferroelectric $\beta$ phase poly(vinylidene fluoride), PVDF, with randomized trifluoroethylene TrFE as a function of TrFE content. The results show that molecular dynamics can be used to predict the mechanical and polarization-related behavior of ferroelectric poly(VDF\textit{-co-}TrFE). The same computational approach might be also utilized for other polymeric materials in the desired temperature and/or composition range. Furthermore, temperature-induced and deformation-induced phase transitions are reported, which are consistent with the experimental observation. Finally, the fundamental theory of electron physics, also called the first-principles formalism, is applied to study the polarization of the layered ferroelectric bismuth titanate (BiT). The electronic structure studies of pure BiT and technologically significant lanthanum-doped bismuth titanate (La-doped BiT) are performed. The results and the extension of current progress of A-site substitutional BiT using first-principle calculations could provide the theoretical evidence of the formation of oxygen vacancies, which is recognized to be associated with the leakage current and polarization properties. Studies on the optical properties of BiT are performed using a beyond-density functional theory (beyond-DFT) method. This is done because the regular approximation for electron-electron coupling in the DFT specific generalized gradient approximation (GGA) has limitations in predicting the band gap of semiconductors/insulators. The Heyd-Scuseria-Ernzerhof (HSE) screened hybrid-functional method is adopted.
Download or read book Hybrid Organic Inorganic Perovskites written by Li Wei and published by John Wiley & Sons. This book was released on 2020-10-19 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hybrid organic-inorganic perovskites (HOIPs) have attracted substantial interest due to their chemical variability, structural diversity and favorable physical properties the past decade. This materials class encompasses other important families such as formates, azides, dicyanamides, cyanides and dicyanometallates. The book summarizes the chemical variability and structural diversity of all known hybrid organic-inorganic perovskites subclasses including halides, azides, formates, dicyanamides, cyanides and dicyanometallates. It also presents a comprehensive account of their intriguing physical properties, including photovoltaic, optoelectronic, dielectric, magnetic, ferroelectric, ferroelastic and multiferroic properties. Moreover, the current challenges and future opportunities in this exciting field are also been discussed. This timely book shows the readers a complete landscape of hybrid organic-inorganic pervoskites and associated multifuctionalities.
Download or read book Layered Materials for Energy Storage and Conversion written by Dongsheng Geng and published by Royal Society of Chemistry. This book was released on 2019-01-22 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: The considerable interest in graphene and 2D materials is sparking intense research on layered materials due to their unexpected physical, electronic, chemical, and optical properties. This book will provide a comprehensive overview of the recent and state-of-the-art research progress on layered materials for energy storage and other applications. With a brief introduction to layered materials, the chapters of this book gather various fascinating topics such as electrocatalysis for fuel cells, lithium-ion batteries, sodium-ion batteries, photovoltaic devices, thermoelectric devices, supercapacitors and water splitting. Unique aspects of layered materials in these fields, including novel synthesis and functionalization methods, particular physicochemical properties and consequently enhanced performance are addressed. Challenges and perspectives for layered materials in these fields will also be presented. With contributions from key researchers, Layered Materials for Energy Storage and Conversion will be of interest to students, researchers and engineers worldwide who want a basic overview of the latest progress and future directions.
Download or read book Ferroelectric Polymers written by Hari Singh Nalwa and published by CRC Press. This book was released on 1995-06-20 with total page 904 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work covers the chemistry and physics of polymeric materials and their uses in the fields of electronics, photonics, and biomedical engineering. It discusses the relationship between polymeric supermolecular structures and ferroelectric, piezoelectric and pyroelectric properties.
Download or read book Organic Ferroelectric Materials and Applications written by Kamal Asadi and published by Woodhead Publishing. This book was released on 2021-10-27 with total page 642 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic Ferroelectric Materials and Applications aims to bring an up-to date account of the field with discussion of recent findings. This book presents an interdisciplinary resource for scientists from both academia and industry on the science and applications of molecular organic piezo- and ferroelectric materials. The book addresses the fundamental science of ferroelectric polymers, molecular crystals, supramolecular networks, and other key and emerging organic materials systems. It touches on important processing and characterization methods and provides an overview of current and emerging applications of organic piezoelectrics and ferroelectrics for electronics, sensors, energy harvesting, and biomedical technologies. Organic Ferroelectric Materials and Applications will be of special interest to those in academia or industry working in materials science, engineering, chemistry, and physics. Provides an overview of key physical properties of the emerging piezoelectric and ferroelectric molecular and supramolecular systems Discusses best practices of processing, patterning, and characterization methods and techniques Addresses current and emerging applications for electronics, materials development, sensors, energy harvesting, and biomedical technologies
Download or read book Ferroelectric Thin Films written by Masanori Okuyama and published by Springer Science & Business Media. This book was released on 2005-02-22 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ferroelectric thin films continue to attract much attention due to their developing applications in memory devices, FeRAM, infrared sensors, piezoelectric sensors and actuators. This book, aimed at students, researchers and developers, gives detailed information about the basic properties of these materials and the associated device physics. The contributing authors are acknowledged experts in the field.
Download or read book Ferroelectrics written by Mickaël Lallart and published by BoD – Books on Demand. This book was released on 2011-08-23 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ferroelectric materials have been and still are widely used in many applications, that have moved from sonar towards breakthrough technologies such as memories or optical devices. This book is a part of a four volume collection (covering material aspects, physical effects, characterization and modeling, and applications) and focuses on the application of ferroelectric devices to innovative systems. In particular, the use of these materials as varying capacitors, gyroscope, acoustics sensors and actuators, microgenerators and memory devices will be exposed, providing an up-to-date review of recent scientific findings and recent advances in the field of ferroelectric devices.
Download or read book Proceedings of the 10th General Conference of the Condensed Matter Division of the European Physical Society written by European Physical Society. Condensed Matter Division. General Conference and published by . This book was released on 1991 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book International Aerospace Abstracts written by and published by . This book was released on 1999 with total page 1044 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Properties of Materials written by Robert E. Newnham and published by Oxford University Press on Demand. This book was released on 2005 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Tensors, matrices, symmetry, and structure-property relationships form the main subjects of the book. While tensors and matrices provide the mathematical framework for understanding anistropy, on which the physical and chemical properties of crystals and textured materials often depend, atomistic arguments are also needed to qualify the property coefficients in various directions. The atomistic arguments are partly based on symmetry and party on the basic physics and chemistry of materials.
Download or read book Polar Oxides written by Rainer Waser and published by John Wiley & Sons. This book was released on 2006-03-06 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Here, more than 20 experts from leading research institutes around the world present the entire scope of this rapidly developing field. In so doing, they cover a wide range of topics, including the characterization and investigation of structural, dielectric and piezoelectric properties of ceramic materials, a well as phase transitions, electrical and optical properties and microscopic investigations. Another feature is a complete profile of the properties of polar oxides -- from their proof to their latest applications. Throughout, the authors review, discuss and assess the material properties with regard to new and advanced characterization and imaging techniques. For physicists, physicochemists, semiconductor and solid state physicists, materials scientists, and students of chemistry and physics.
Download or read book Perovskites written by Richard J. D. Tilley and published by John Wiley & Sons. This book was released on 2016-03-03 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Uniquely describes both the crystallography and properties of perovskite related materials. Practical applications in solar cells, microelectronics and telecommunications Interdisciplinary topic drawing on materials science, chemistry, physics, and geology Contains problems and answers to enhance knowledge retention
Download or read book Photoferroelectrics written by Vladimir M. Fridkin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 179 pages. Available in PDF, EPUB and Kindle. Book excerpt: Since Valasek's discovery of the ferroelectric properties of Rochelle salt nearly 60 years ago, ferroelectricity has been regarded as one of the tradi tional branches of dielectric physics. It has had important applications in lattice dynamics, quantum electronics, and nonlinear optics. The study of electron processes in ferroelectrics was begun with VUL's investigations of the ferroelectric properties of barium titanate [1.1]. In trinsic and extrinsic optical absorption, band structure, conductivity and photoconductivity, carrier mobility. and transport mechanisms were examined in this compound, and in other perovskite ferroelectric semiconductors. An important discovery was that of the highly photosensitive photoconducting ferroelectrics of type AVBVICVIII (e.g. SbSI) by MERZ et al. in 1962 [1.2,3]. A large number of ferroelectric semiconductors (some photosensitive, some not) are now known, including broad-band materials (e.g. lithium niobate, lithium tantalate, barium and strontium niobate, and type-A~B~I compounds), BI and narrow-band semiconductors (e.g. type_AIVB compounds). A series of improper ferroelectric semiconductors and photosensitive ferroelastics have been discovered, of which Sb 0 I is an example. s 7 Owing to the uncertainty of their band structure, the difficulty in deter mining the nature of the levels, the complexity of alloying, and their gen erally low mobility values, ferroelectrics are rarely of interest regarded as nonlinear semiconductors. The most fruitful approach has been the study of the influence of electrons (especially nonequilibrium electrons) and electron excitations on phase transitions and ferroelectric properties. A large group of phenomena have recently been discovered and investigated.
Download or read book Ferroelectric Materials for Energy Applications written by Haitao Huang and published by John Wiley & Sons. This book was released on 2019-01-04 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Provides a comprehensive overview of the emerging applications of ferroelectric materials in energy harvesting and storage Conventional ferroelectric materials are normally used in sensors and actuators, memory devices, and field effect transistors, etc. Recent progress in this area showed that ferroelectric materials can harvest energy from multiple sources including mechanical energy, thermal fluctuations, and light. This book gives a complete summary of the novel energy-related applications of ferroelectric materials?and reviews both the recent advances as well as the future perspectives in this field. Beginning with the fundamentals of ferroelectric materials, Ferroelectric Materials for Energy Applications offers in-depth chapter coverage of: piezoelectric energy generation; ferroelectric photovoltaics; organic-inorganic hybrid perovskites for solar energy conversion; ferroelectric ceramics and thin films in electric energy storage; ferroelectric polymer composites in electric energy storage; pyroelectric energy harvesting; ferroelectrics in electrocaloric cooling; ferroelectric in photocatalysis; and first-principles calculations on ferroelectrics for energy applications. -Covers a highly application-oriented subject with great potential for energy conversion and storage applications. -Focused toward a large, interdisciplinary group consisting of material scientists, solid state physicists, engineering scientists, and industrial researchers -Edited by the "father of integrated ferroelectrics" Ferroelectric Materials for Energy Applications is an excellent book for researchers working on ferroelectric materials and energy materials, as well as engineers looking to broaden their view of the field.
Download or read book Piezoelectric Energy Harvesting written by Alper Erturk and published by John Wiley & Sons. This book was released on 2011-04-04 with total page 377 pages. Available in PDF, EPUB and Kindle. Book excerpt: The transformation of vibrations into electric energy through the use of piezoelectric devices is an exciting and rapidly developing area of research with a widening range of applications constantly materialising. With Piezoelectric Energy Harvesting, world-leading researchers provide a timely and comprehensive coverage of the electromechanical modelling and applications of piezoelectric energy harvesters. They present principal modelling approaches, synthesizing fundamental material related to mechanical, aerospace, civil, electrical and materials engineering disciplines for vibration-based energy harvesting using piezoelectric transduction. Piezoelectric Energy Harvesting provides the first comprehensive treatment of distributed-parameter electromechanical modelling for piezoelectric energy harvesting with extensive case studies including experimental validations, and is the first book to address modelling of various forms of excitation in piezoelectric energy harvesting, ranging from airflow excitation to moving loads, thus ensuring its relevance to engineers in fields as disparate as aerospace engineering and civil engineering. Coverage includes: Analytical and approximate analytical distributed-parameter electromechanical models with illustrative theoretical case studies as well as extensive experimental validations Several problems of piezoelectric energy harvesting ranging from simple harmonic excitation to random vibrations Details of introducing and modelling piezoelectric coupling for various problems Modelling and exploiting nonlinear dynamics for performance enhancement, supported with experimental verifications Applications ranging from moving load excitation of slender bridges to airflow excitation of aeroelastic sections A review of standard nonlinear energy harvesting circuits with modelling aspects.
Download or read book Salts of Amino Acids written by Michel Fleck and published by Springer. This book was released on 2014-07-08 with total page 581 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the last decades, amino acids have been found to be of importance in many fields of science. Apart from their biological function, this family of organic compounds has been employed in the synthesis of a vast variety of salts, with impact on areas such as materials science, pharmaceutical or physical research. This covers a wide range, from the discovery of important ferroelectrics or non-linear optical materials to nutrients, flavor enhancers or drugs. This book describes amino acids and their salts with cations, anions and inorganic compounds from a chemical, physical and crystallographical point of view. Additional data on structural properties, crystal growth and the relation of structure and physical properties of amino acid salts is discussed.
Download or read book Organic Optoelectronic Materials written by Yongfang Li and published by Springer. This book was released on 2015-05-30 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume reviews the latest trends in organic optoelectronic materials. Each comprehensive chapter allows graduate students and newcomers to the field to grasp the basics, whilst also ensuring that they have the most up-to-date overview of the latest research. Topics include: organic conductors and semiconductors; conducting polymers and conjugated polymer semiconductors, as well as their applications in organic field-effect-transistors; organic light-emitting diodes; and organic photovoltaics and transparent conducting electrodes. The molecular structures, synthesis methods, physicochemical and optoelectronic properties of the organic optoelectronic materials are also introduced and described in detail. The authors also elucidate the structures and working mechanisms of organic optoelectronic devices and outline fundamental scientific problems and future research directions. This volume is invaluable to all those interested in organic optoelectronic materials.
