The aim of this book is to review recent achievements in the theoretical investigations of the electronic structure, optical, magneto-optical (MO), and x-ray magnetic circular dichroism (XMCD) properties of compounds and Multilayered structures. Chapter 1 of this book is of an introductory character and presents the theoretical foundations of the band theory of solids such as the density functional theory for ground state properties of solids including local density approximation (LDA). It also presents some modifications to the LDA, such as gradient correction, self-interaction correction, LDA+U method, orbital polarization correction, GW approximation, and dynamical mean- field theory. The description of the magneto-optical effects and linear response theory are also presented. The book describes the MO properties for a number of 3d materials, such as elemental ferromagnetic metals (Fe, Co and Ni) and paramagnetic metals in external magnetic fields (Pd and Pt), some important 3d compounds such as XPt3 (X=V, Cr, Mn, Fe and Co), Heusler alloys, chromium spinel chalcogenides, MnB and strongly correlated magnetite Fe304. theoretical investigations of the electronic structure, optical and MO properties of transition metal multilayered structures (MLS). The book presents also the MO properties of f band ferromagnetic materials: Tm, Nd, Sm, Ce and La monochalcogenides, some important Yb compounds, SmB6 and Nd3S4, UFe2, U3X4 (X=P, As, Sb, Bi, Se and Te), UCu2P2, UCuP2, UCuAs2, UAsSe, URhA1, UGa2 and UPd3. Within the total group of alloys and compounds, we discuss their MO spectra in relationship to: the spin-orbit coupling strength, the magnitude of the local magnetic moment, the degree of hybridization in the bonding, the half-metallic character, or, equivalently, the Fermi level filling of the bandstructure, the intraband plasma frequency, and the influence of the crystal structure. The last chapter results recent theoretical investigations on the MXCD in various representative transition metal 4f and 5f systems are presented.

A complete and comprehensive theory of failure is developed for homogeneous and isotropic materials. The full range of materials types are covered from very ductile metals to extremely brittle glasses and minerals. Two failure properties suffice to predict the general failure conditions under all states of stress. With this foundation to build upon, many other aspects of failure are also treated, such as extensions to anisotropic fiber composites, cumulative damage, creep and fatigue, and microscale and nanoscale approaches to failure.

This book summarizes and records the recent notable advances in diverse topics in organic crystal chemistry, which has made substantial progress along with the rapid development of a variety of analysis and measurement techniques for solid organic materials. This review book is one of the volumes that are published periodically on this theme. The previous volume, published in 2015, systematically summarized the remarkable progress in assorted topics of organic crystal chemistry using organic solids and organic-inorganic hybrid materials during the previous 5 years, and it has been widely read. The present volume also shows the progress of organic solid chemistry in the last 5 years, with contributions mainly by invited members of the Division of Organic Crystal Chemistry of the Chemical Society of Japan (CSJ), together with prominent invited authors from countries other than Japan.

Dielectrics is becoming increasingly important due to the rapid developments in electronics, optoelectronics, photonics and nanotechnology. In the past two decades, research on advanced dielectric materials and related applications has undergone an accelerated growth, due in larger part to the discovery of the superior piezoelectric properties in relaxor single crystals, the development of the lead-free piezoelectric/ferroelectric materials and the renaissance of the multiferroics.This book contains 9 feature articles which, together, provide a comprehensive account on the current state of advanced dielectrics and related phenomena. The first two articles present fundamental knowledge related to the characterization of ferroelectric hysteresis, which is the most widely used method to learn the ferroelectricity experimentally. The latest research progress in relaxor ferroelectric is given in the next two articles. The last five articles are dedicated to the multi-functionality of advanced dielectrics, with emphasis on multiferroic magnetoelectric composites, lead-free piezoceramics, pyroelectric/electrocaloric materials, polymer-based dielectrics, and flexible nanodielectrics.

In this important book, the author summarizes and generalizes the results of 25 years of work in this exciting field, which has been developing extensively within the last few decades. The reader will find discussions of many crystals that were investigated in the microwave region, including low-dimensional and ferroelectric semiconductors, protonic conductors, quasi-one-dimensional H-bonded. and other order-disorder ferroelectrics. This volume is an essential reference for all scientists and graduate students whose interests are connected to the physics of ferroelectrics and related materials; the physics of structural phase transitions; and superionic conductors. It will also be of value to those interested in developing or exploiting microwave measurement techniques.

This book provides comprehensive coverage of the new wide-bandgap semiconductor gallium oxide (Ga2O3). Ga2O3 has been attracting much attention due to its excellent materials properties. It features an extremely large bandgap of greater than 4.5 eV and availability of large-size, high-quality native substrates produced from melt-grown bulk single crystals. Ga2O3 is thus a rising star among ultra-wide-bandgap semiconductors and represents a key emerging research field for the worldwide semiconductor community. Expert chapters cover physical properties, synthesis, and state-of-the-art applications, including materials properties, growth techniques of melt-grown bulk single crystals and epitaxial thin films, and many types of devices. The book is an essential resource for academic and industry readers who have an interest in, or plan to start, a new R&D project related to Ga2O3.

This book puts forward the concept of the Diameter-Transformed Fluidized Bed (DTFB): a fluidized bed characterized by the coexistence of multiple flow regimes and reaction zones, achieved by transforming the bed into several sections of different diameters. It reviews fundamental aspects, including computational fluid dynamics simulations and industrial practices in connection with DTFB. In particular, it highlights an example concerning the development of maximizing iso-paraffins (MIP) reactors for regulating complex, fluid catalytic cracking reactions in petroleum refineries. The book is a must-have for understanding how academic and industrial researchers are now collaborating in order to develop novel catalytic processes.

A modern presentation of theoretical solid state physics that builds directly upon Kittel's Introduction to Solid State Physics. Treats phonon, electron, and magnon fields, culminating in the BCS theory of superconductivity. Considers Fermi surfaces and electron wave functions and develops the group theoretical description of Brillouin zones. Applies correlation functions to time-dependent effects in solids, with an introduction to Green's functions. With 110 problems, the text is well-suited for the classroom or for self-instruction.

This book contains papers presented in the 3rd International Conference on Separation Technology 2020 (ICoST 2020) held from 15 to 16th August 2020 at Johor, Malaysia. This proceeding contains papers presented by academics and industrial practitioners showcasing the latest advancements and findings in field of separation technology. The papers are categorized under the following tracks and topics of research: Environment Engineering Biotechnology Absorption and Adsorption Technology Wastewater Treatment ICoST 2020 covers multidisciplinary perspectives on separation research and aims to promote scientific information interchange between academics, researchers, graduates and industry professionals worldwide. This conference provides opportunities for the delegates to exchange new ideas and application experiences face to face, to establish business or research relations and to find global partners for future collaboration.

The best way to understand chemical bonding may be to take a view appropriate to each individual system, a view which may be quite different for various systems. Sometimes two very different views are appropriate for the same system, and then the combination may even give the parameters needed to estimate the bonding energy by hand. Density Functional Theory, on the other hand, generally tries to take one view as applicable to all systems, and proceeds computationally.In contrast to the author's two previous well-known textbooks, Electronic Structure and the Properties of Solids (1989) and Elementary Electronic Structure (1999), in this book he tries to distill the essence of the representation of electronic structure in a much briefer description. It is shortened by focusing primarily on the bonding energies, the energy gained in assembling atoms as a molecule or a solid, or as a solid with a surface. A central point is that the same description of the electronic structure which gives this cohesion, can also be used to understand all of the other properties, though those other properties are not emphasized here. The effort is characterized by the title, which combines the modern word "theory" with the ancient effort of "alchemy" to make sense of the material world.

This book addresses the fabrication of responsive functional nanomaterials and their use in sustainable energy and environmental applications. Responsive functional nanomaterials can change their physiochemical properties to adapt to their environment. Accordingly, these novel materials are playing an increasingly important role in a diverse range of applications, such as sensors and actuators, self-healing materials, separation, drug delivery, diagnostics, tissue engineering, functional coatings and textiles. This book reports on the latest advances in responsive functional nanomaterials in a wide range of applications and will appeal to a broad readership across the fields of materials, chemistry, sustainable energy, environmental science and nanotechnology.

Semiconductor devices are ubiquitous in the modern computer and telecommunications industry. A precise knowledge of the transport equations for electron flow in semiconductors when a voltage is applied is therefore of paramount importance for further technological breakthroughs.

In the present work, the author tackles their derivation in a systematic and rigorous way, depending on certain key parameters such as the number of free electrons in the device, the mean free path of the carriers, the device dimensions and the ambient temperature. Accordingly a hierarchy of models is examined which is reflected in the structure of the book: first the microscopic and macroscopic semi-classical approaches followed by their quantum-mechanical counterparts.

This book provides comprehensive coverage of the materials characteristics, process technologies, and device operations for memory field-effect transistors employing inorganic or organic ferroelectric thin films. This transistor-type ferroelectric memory has interesting fundamental device physics and potentially large industrial impact. Among various applications of ferroelectric thin films, the development of nonvolatile ferroelectric random access memory (FeRAM) has been most actively progressed since the late 1980s and reached modest mass production for specific application since 1995. There are two types of memory cells in ferroelectric nonvolatile memories. One is the capacitor-type FeRAM and the other is the field-effect transistor (FET)-type FeRAM. Although the FET-type FeRAM claims the ultimate scalability and nondestructive readout characteristics, the capacitor-type FeRAMs have been the main interest for the major semiconductor memory companies, because the ferroelectric FET has fatal handicaps of cross-talk for random accessibility and short retention time. This book aims to provide the readers with development history, technical issues, fabrication methodologies, and promising applications of FET-type ferroelectric memory devices, presenting a comprehensive review of past, present, and future technologies. The topics discussed will lead to further advances in large-area electronics implemented on glass, plastic or paper substrates as well as in conventional Si electronics. The book is composed of chapters written by leading researchers in ferroelectric materials and related device technologies, including oxide and organic ferroelectric thin films.

This thesis presents a comprehensive theoretical description of classical and quantum aspects of plasmonics in three and two dimensions, and also in transdimensional systems containing elements with different dimensionalities. It focuses on the theoretical understanding of the salient features of plasmons in nanosystems as well as on the multifaceted aspects of plasmon-enhanced light-matter interactions at the nanometer scale. Special emphasis is given to the modeling of nonclassical behavior across the transition regime bridging the classical and the quantum domains. The research presented in this dissertation provides useful tools for understanding surface plasmons in various two- and three-dimensional nanostructures, as well as quantum mechanical effects in their response and their joint impact on light-matter interactions at the extreme nanoscale. These contributions constitute novel and solid advancements in the research field of plasmonics and nanophotonics that will help guide future experimental investigations in the blossoming field of nanophotonics, and also facilitate the design of the next generation of truly nanoscale nanophotonic devices.

This book offers a compact overview on crystallography, symmetry, and applications of symmetry concepts. The author explains the theory behind scattering and diffraction of electromagnetic radiation. X-ray diffraction on single crystals as well as quantitative evaluation of powder patterns are discussed.

Zeitschrift fur Kristallographie. Supplement Volume 41 presents the complete Abstracts of all contributions to the 29th Annual Conference of the German Crystallographic Society in Hamburg (Germany) 2021: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift fur Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.

This thesis presents the application of non-perturbative, or functional, renormalization group to study the physics of critical stationary states in systems out-of-equilibrium. Two different systems are thereby studied. The first system is the diffusive epidemic process, a stochastic process which models the propagation of an epidemic within a population. This model exhibits a phase transition peculiar to out-of-equilibrium, between a stationary state where the epidemic is extinct and one where it survives. The present study helps to clarify subtle issues about the underlying symmetries of this process and the possible universality classes of its phase transition. The second system is fully developed homogeneous isotropic and incompressible turbulence. The stationary state of this driven-dissipative system shows an energy cascade whose phenomenology is complex, with partial scale-invariance, intertwined with what is called intermittency. In this work, analytical expressions for the space-time dependence of multi-point correlation functions of the turbulent state in 2- and 3-D are derived. This result is noteworthy in that it does not rely on phenomenological input except from the Navier-Stokes equation and that it becomes exact in the physically relevant limit of large wave-numbers. The obtained correlation functions show how scale invariance is broken in a subtle way, related to intermittency corrections.

The book is aimed at assessing the capabilities of state-of-the-art optical techniques in elucidating the fundamental electronic and structural properties of semiconductor and metal surfaces, interfaces, thin layers, and layer structures, and assessing the usefulness of these techniques for optimization of high quality multilayer samples through feedback control during materials growth and processing. Particular emphasis is dedicated to the theory of nonlinear optics and to dynamical processes through the use of pump-probe techniques together with the search for new optical sources. Some new applications of Scanning Probe Microscopy to Material Science and biological samples, dried and in vivo, with the use of different laser sources are also presented. Materials of particular interest are silicon, semiconductor-metal interfaces, semiconductor and magnetic multi-layers and III-V compound semiconductors.

This book focuses on the thermophysical properties of Ge-Sb-Te alloys, which are the most widely used phase change materials, and the technique for measuring them. Describing the measuring procedure and parameter calibration in detail, it provides readers with an accurate method for determining the thermophysical properties of phase change materials and other related materials. Further, it discusses combining thermal and electrical conductivity data to analyze the conduction mechanism, allowing readers to gain an understanding of phase change materials and PCM industry simulation.

This status report features the most recent developments in the field, spanning a wide range of topical areas in the computer simulation of condensed matter/materials physics. Both established and new topics are included, ranging from the statistical mechanics of classical magnetic spin models to electronic structure calculations, quantum simulations, and simulations of soft condensed matter.

Many technological applications exploit a variety of magnetic structures, or magnetic phases, to produce and optimise solid-state functionality. However, most research advances are restricted to a reduced number of phases owing to computational and resource constraints. This thesis presents an ab-initio theory to efficiently describe complex magnetic phases and their temperature-dependent properties. The central assumption is that magnetic phases evolve slowly compared with the underlying electronic structure from which they emerge. By describing how the electronic structure adapts to the type and extent of magnetic order, a theory able to describe multi-spin correlations and their effect on the magnetism at finite temperature is obtained. It is shown that multi-spin correlations are behind the temperature and magnetic field dependence of the diverse magnetism in the heavy rare earth elements. Magnetically frustrated Mn-based materials and the effect of strain are also investigated. These studies demonstrate that the performance of solid-state refrigeration can be enhanced by multi-spin effects.

This thesis reports a rare combination of experiment and theory on the role of geometry in materials science. It is built on two significant findings: that curvature can be used to guide crack paths in a predictive way, and that protected topological order can exist in amorphous materials. In each, the underlying geometry controls the elastic behavior of quasi-2D materials, enabling the control of crack propagation in elastic sheets and the control of unidirectional waves traveling at the boundary of metamaterials. The thesis examines the consequences of this geometric control in a range of materials spanning many orders of magnitude in length scale, from amorphous macroscopic networks and elastic continua to nanoscale lattices.

Effects of many-body interactions and superconducting correlations have become central questions in the quantum transport community. While most previous works investigating current fluctuations in nanodevices have been restricted to the stationary regime, Seoane's thesis extends these studies to the time domain. It provides relevant information about the time onset of electronic correlations mediated by interactions and superconductivity. This knowledge is essential for the development of fast electronic devices, as well as novel applications requiring fast manipulations, such as quantum information processing. In addition, the thesis establishes contact with issues of broad current interest such as non-equilibrium quantum phase transitions.

This book presents the findings of experimental and theoretical (including first-principles molecular dynamics simulation) studies of nanostructured and nanocomposite metal-based materials, and nanoscale multilayer coatings fabricated by physical or chemical vapor deposition, magnetron sputtering, electrospark alloying, ionic layer absorption, contact melting, and high-current electron beam irradiation. It also discusses novel methods of nanocomposite formation, as well as the structure of the deposited films, coatings and other nanoscale materials, their elemental and phase composition, and their physical-mechanical, tribological, magnetic and electrical properties. Lastly, it explores the influence of a various surface modification methods, such as thermal annealing, pulsed laser modification, and thermomechanical and ultrasonic treatment, as well as different properties of nanostructured films.

This book presents both a qualitative and quantitative description of the device. The second edition has been refined to improve pedagogical effectiveness.