This handbook presents electronic structure data and tabulations of Slater-Koster parameters for the whole periodic table. This second edition presents data sets for all elements up to Z = 112, Copernicium, whereas the first edition contained only 53 elements.

In this new edition, results are given for the equation of state of the elements together with the parameters of a Birch fit, so that the reader can regenerate the results and derive additional information, such as Pressure-Volume relations and variation of Bulk Modulus with Pressure. For each element, in addition to the equation of state, the energy bands, densities of states and a set of tight-binding parameters is provided.

For a majority of elements, the tight-binding parameters are presented for both a two- and three-center approximation. For the hcp structure, new three-center tight-binding results are given. Other new material in this edition include: energy bands and densities of states of all rare-earth metals, a discussion of the McMillan-Gaspari-Gyorffy theories and a tabulation of the electron-ion interaction matrix elements. The evaluation of the Stoner criterion for ferromagnetism is examined and results are tabulated. This edition also contains two new appendices discussing the effects of spin-orbit interaction and a modified version of Harrison's tight-binding theory for metals which puts the theory on a quantitative basis.

Understandable by anyone concerned with crystals or solid state properties dependent on structure

Presents a general system using simple notation to reveal similarities and differences among crystal structures

More than 300 selected and prepared figures illustrate structures found in thousands of compounds

Includes a CD-ROM with CrystalMakerTM data files to allow the reader to view and manipulate the structures

"Fundamental Aspects of Plasma Chemical Physics: Transport "develops basic and advanced concepts of plasma transport to the modern treatment of the Chapman-Enskog method for the solution of the Boltzmann transport equation.

The book invites the reader to consider actual problems of the transport of thermal plasmas with particular attention to the derivation of diffusion- and viscosity-type transport cross sections, stressing the role of resonant charge-exchange processes in affecting the diffusion-type collision calculation of viscosity-type collision integrals.

A wide range of topics is then discussed including (1) the effect of non-equilibrium vibrational distributions on the transport of vibrational energy, (2) the role of electronically excited states in the transport properties of thermal plasmas, (3) the dependence of transport properties on the multitude of Saha equations for multi-temperature plasmas, and (4) the effect of the magnetic field on transport properties.

Throughout the book, worked examples are provided to clarify concepts and mathematical approaches.

This book is the second of a series of three published by the Bari group on fundamental aspects of plasma chemical physics. The first book, "Fundamental Aspects of Plasma Chemical Physics: Thermodynamics," is dedicated to plasma thermodynamics; and the third, "Fundamental Aspects of Plasma Chemical Physics: Kinetics," deals with plasma kinetics.

This book explores the application of external physical fields to the solidification processing of metallic alloys. Leading academics from around the world present comprehensive and critical reviews on state-of-the-art research and discuss possible future directions. Major physical fields, including electromagnetic, electric, acoustic, and thermal, are considered. In addition, the most advanced synchrotron X-ray based real-time and in-situ studies and numerical modeling methodologies are reviewed and discussed, with a special emphasis on their applications to the solidification processes. Throughout, all chapters are illustrated with both historical and very recent research cases, including typical examples of in-situ studies, modeling, and simulation. This book contains essential knowledge and information suitable for a wide audience, from undergraduate and postgraduate students to academics, practicing researchers, and engineers in materials, metallurgy, and manufacturing.

The art of chemistry is to thoroughly understand the properties of molecular compounds and materials and to be able to prepare novel compounds with p- dicted and desirable properties. The basis for progress is to fully appreciate and fundamentally understand the intimate relation between structure and function. The thermodynamic properties (stability, selectivity, redox potential), reactivities (bond breaking and formation, catalysis, electron transfer) and electronic properties (spectroscopy, magnetism) depend on the structure of a compound. Nevertheless, the discovery of novel molecular compounds and materials with exciting prop- ties is often and to a large extent based on serendipity. For compounds with novel and exciting properties, a thorough analysis of experimental data - state-of-the-art spectroscopy, magnetism, thermodynamic properties and/or detailed mechanistic information - combined with sophisticated electronic structure calculations is p- formed to interpret the results and fully understand the structure, properties and their interrelation. From these analyses, new models and theories may emerge, and this has led to the development of ef cient models for the design and interpre- tion of new materials and important new experiments. The chapters in this book therefore describe various fundamental aspects of structures, dynamics and physics of molecules and materials. The approaches, data and models discussed include new theoretical developments, computational studies and experimental work from molecular chemistry to biology and materials science.

This book presents an overview of fundamental aspects of surface-based biosensors and techniques for enhancing their detection sensitivity and speed. It focuses on rapid detection using miniaturized sensors and describes the physical principles of nanoscale transducers, surface modifications, microfluidics and reaction engineering, diffusion and kinetics. A key challenge in the field of bioanalytical sensors is the rapid delivery of target biomolecules to the sensing surface. While various nanostructures have shown great promise in sensitive detection, diffusion-limited binding of analyte molecules remains a fundamental problem. Recently, many researchers have put forward novel schemes to overcome this challenge, such as nanopore channels, electrokinetics, and dielectrophoresis, to name but a few. This book provides the readers an up-to-date account on these technological advances.

During the last decade, many new concepts have been proposed for improving the performance of power rectifiers and transistors. The results of this research are dispersed in the technical literature among journal articles and abstracts of conferences. Consequently, the information is not readily available to researchers and practicing engineers in the power device community. There is no cohesive treatment of the ideas to provide an assessment of the relative merits of the ideas.

Advanced Power Rectifier Concepts provides an in-depth treatment of the physics of operation of advanced power rectifiers. Analytical models for explaining the operation of all the advanced power rectifier devices will be developed. The results off numerical simulations will be provided to provide additional insight into the device physics and validate the analytical models. The results of two-dimensional simulations will be provided to corroborate the analytical models and provide greater insight into the device operation.

This important book provides an introduction to the liquid state. A qualitative description of liquid properties is first given, followed by detailed chapters on thermodynamics, liquid structure in relation to interaction forces and transport properties such as diffusion and viscosity. Treatment of complex fluids such as anisotropic liquid crystals and polymers, and of technically important topics such as non-Newtonian and turbulent flows, is included. Surface properties and characteristics of the liquid-vapour critical point are also discussed. While the book focuses on classical liquids, the final chapter deals with quantal fluids.

Liquid Crystals LCs] are synthetic functional materials par excellence and are to be found in many types of LCDs; LCs self-assemble into ordered, but fluid, supramolecular structures and domains; they can be oriented in large homogeneous monodomains by electric and magnetic fields, Langmuir Blodgett techniques and also by self-orientation on suitable alignment layers; they are also anisotropic with preferred axes of light absorption, emission and charge transport with excellent semiconducting properties; they are soluble in organic solvents and can be deposited as uniform thin layers on device substrates, including plastic, by low-cost deposition processes, such as spin coating and doctor blade techniques; reactive mesogens polymerisable LC monomers] can be photopatterned and fixed in position and orientation as insoluble polymer networks. LCs are increasingly being used as active components in electronic and photonic organic devices, such as Organic Light-Emitting Diodes OLEDs], Organic Field Effect Transistors OFETs], Thin Film Transistors TFTs] and photovoltaic cells PVs]. Such devices on plastic substrates represent a major component of the plastic electronics revolution. The self-assembling properties and supramolecular structures of liquid crystals can be made use of in order to improve the performance of such devices. The relationships between chemical structure, liquid crystalline behaviour and other physical properties, such as charge-transport, photoluminescence and electroluminescence are discussed and explained. For example, high carrier-mobility, polarised emission and enhanced output-coupling are identified as the key advantages of nematic and smectic liquid crystals for electroluminescence. The advantageous use of anisotropic polymer networks formed by the polymerisation of reactive mesogens RMs] in devices with multilayer capability and photopatternability is described. The anisotropic transport and high carrier mobilities of columnar liquid crystals make them promising candidates for photovoltaics and transistors. The issues in the design and processing of liquid crystalline semiconductors for such devcies with improved performance are described. The photonic properties of chiral liquid crystals and their use as mirror-less lasers are also discussed.

This book makes good background reading for much of modern magnetospheric physics. Its origin was a Festspiel for Professor Jim Dungey, former professor in the Physics Department at Imperial College on the occasion of his 90th birthday, 30 January 2013. Remarkably, although he retired 30 years ago, his pioneering and, often, maverick work in the 50's through to the 70's on solar terrestrial physics is probably more widely appreciated today than when he retired. Dungey was a theoretical plasma physicist. The book covers how his reconnection model of the magnetosphere evolved to become the standard model of solar-terrestrial coupling. Dungey's open magnetosphere model now underpins a holistic picture explaining not only the magnetic and plasma structure of the magnetosphere, but also its dynamics which can be monitored in real time. The book also shows how modern day simulation of solar terrestrial coupling can reproduce the real time evolution of the solar terrestrial system in ways undreamt of in 1961 when Dungey's epoch-making paper was published. Further contributions on current Earth magnetosphere research and space plasma physics included in this book show how Dungey's basic ideas have remained explanative 50 years on. But the Festspiel also introduced some advances that possibly Dungey had not foreseen. One of the contributions presented in this book is on the variety of magnetospheres of the solar system which have been seen directly during the space age, discussing the variations in spatial scale and reconnection time scale and comparing them in respect of Earth, Mercury, the giant planets as well as Ganymede.

The study of quantum fluids, stimulated by the discovery of superfluidity in liquid helium, has experienced renewed interest after the observation of Bose-Einstein condensation (BEC) in ultra-cold atomic gases and the observation a new type of quantum fluid with specific characteristics derived from its intrinsic out-of-equilibrium nature. The main objective of this book is to take a snapshot of the state-of-the-art of this fast moving field with a special emphasis on the hot topics and new trends. Bringing together the most active specialists of the two areas (atomic and polaritonic quantum fluids), we expect that this book will facilitate the exchange and the collaboration between these two communities working on subjects with very strong analogies.

The book is focused on constitutive description of mechanical behaviour of engineering materials: both conventional (polycrystalline homogeneous isotropic or anisotropic metallic materials) and non-conventional (heterogeneous multicomponent anisotropic composite materials). Effective material properties at the macro-level depend on both the material microstructure (originally isotropic or anisotropic) as well as dissipative phenomena occurred on fabrication and consecutive loading phase (hardening) resulting in irreversible microstructure changes (acquired anisotropy). The material symmetry is a background and anisotropy is a core around which the book is formed. In this way a revision of classical rules of enhanced constitutive description of materials is required.

This thesis describes how to create and probe novel phases of matter and exotic (non-quasiparticle) behavior in cold atomic gases. It focuses on situations whose physics is relevant to condensed matter systems, and where open questions about these latter systems can be addressed. It also attempts to better understand several experimental anomalies in condensed matter systems.

The thesis is divided into five parts. The first section or chapter of each part gives an introduction to the motivation and background for the physics of that part; the last section or chapter gives an outlook for future studies. Parts 1-4 introduce and show different facets of how to learn about novel physics relevant to condensed matter using cold atomic systems. Part 5 constrains explanations of several ill-understood phenomena occurring in low-temperature quantum solids and condensed matter systems and attempts to construct mechanisms for their behavior.

This monograph describes mathematical models that enable prediction of phase compositions for various technological processes, as developed on the base of a complex physico-chemical analysis of reaction. It studies thermodynamics and kinetics of specific stages of complex pyrometallurgical processes involving boron, carbon, sulfur, tungsten, phosphorus, and many more, as well as their exposure to all sorts of factors.

First and foremost, this enables to optimize processes and technologies at the stage of design, while traditional empirical means of development of new technologies are basically incapable of providing an optimal solution. Simulation results of metals and alloys production, welding and coating technologies allow obtaining materials with pre-given composition, structure and properties in a cost-saving and conscious manner. Moreover, a so-called "inverse problem," i.e., selecting source materials which would ensure the required results, cannot be solved by any other means.

Ionic liquids have attracted considerable interest in recent years. In this book the bulk and interfacial physico-chemical characteristics of various fluid systems dominated by Coulomb interactions are treated which includes molten salts, ionic liquids as well as metal-molten salt mixtures and expanded fluid metals. Of particular interest is the comparison of the different systems. Topics in the bulk phase concern the microscopic structure, the phase behaviour and critical phenomena, and the metal-nonmetal transition. Interfacial phenomena include wetting transitions, electrowetting, surface freezing, and the electrified ionic liquid/ electrode interface. With regard to the latter 2D and 3D electrochemical phase formation of metals and semi-conductors on the nanometer scale is described for a number of selected examples. The basic concepts and various experimental methods are introduced making the book suitable for both graduate students and researchers interested in Coulombic fluids.

Micro-X-ray fluorescence offers the possibility for a position- sensitive and non-destructive analysis that can be used for the analysis of non-homogeneous materials and layer systems. This analytical technique has shown a dynamic development in the last 15 years and is used for the analysis of small particles, inclusions, of elemental distributions for a wide range of different applications both in research and quality control. The first experiments were performed on synchrotrons but there is a requirement for laboratory instruments which offers a fast and immediate access for analytical results. The book discuss the main components of a -XRF instrument and the different measurement modes, it gives an overview about the various instruments types, considers the special requirements for quantification of non-homogeneous materials and presents a wide range of application for single point and multi-point analysis as well as for distribution analysis in one, two and three dimensions.

Trends in Computational Nanomechanics reviews recent advances in analytical and computational modeling frameworks to describe the mechanics of materials on scales ranging from the atomistic, through the microstructure or transitional, and up to the continuum. The book presents new approaches in the theory of nanosystems, recent developments in theoretical and computational methods for studying problems in which multiple length and/or time scales must be simultaneously resolved, as well as example applications in nanomechanics.

This title will be a useful tool of reference for professionals, graduates and undergraduates interested in Computational Chemistry and Physics, Materials Science, Nanotechnology.

This book discusses recent progress in endohedral fullerenes - their production and separation techniques, as well as their characterization and properties. Furthermore, the book delves into the all-important issue of stability by investigating electron transfer between the encapsulated metal species and the carbon cage. It also reviews spin-based phenomena caused by the shielding of endohedral spin by the fullerene, and analyzes formation of the spin states by charge transfer as studied by electron spin resonance. Tuning of charge states of endohedral species and of spin states of both the cage and the cluster are explained. Finally, the book considers the recent discovery of magnetism in some endohedral fullerenes, and the potential for quantum computing.

This is a comprehensive textbook designed for graduate and advanced undergraduate students. Both authors rely on more than 20 years of teaching experience in renowned Physics Engineering courses to write this book addressing the students' needs. Kinetics and Spectroscopy of Low Temperature Plasmas derives in a full self-consistent way the electron kinetic theory used to describe low temperature plasmas created in the laboratory with an electrical discharge, and presents the main optical spectroscopic diagnostics used to characterize such plasmas. The chapters with the theoretical contents make use of a deductive approach in which the electron kinetic theory applied to plasmas with basis on the electron Boltzmann equation is derived from the basic concepts of Statistical and Plasma Physics. On the other hand, the main optical spectroscopy diagnostics used to characterize experimentally such plasmas are presented and justified from the point of view of the Atomic and Molecular Physics. Low temperature plasmas (LTP) are partially ionized gases with a broad use in many technological applications such as microelectronics, light sources, lasers, biology and medicine. LTPs lead to the production of atomic and molecular excited states, chemically reactive radicals, and activated surface sites, which are in the origin, among others, of the deposition of thin films, advanced nanotechnology products, solar cells, highly efficient combustion motors, and treatment of cancer cells.

'A fascinating exploration of how we learned what matter really is, and the journey matter takes from the Big Bang, through exploding stars, ultimately to you and me.' - Sean Carroll, author of Something Deeply Hidden 'If you wish to make an apple pie from scratch, you must first invent the universe.' - Carl Sagan We probably all have a vague idea of how to make an apple pie: mix flour and butter, throw in some apples and you're probably most of the way there, right? Think again. Making an apple pie from scratch requires ingredients that definitely aren't available in the supermarket, ovens that can reach temperatures of trillions of degrees, and a preparation time of 13.8 billion years. Inspired by Sagan's famous line, Harry Cliff ventures out in search of the ultimate apple pie recipe, tracing the ingredients of our universe through the hearts of dying stars and back in time to a tiny fraction of a second after our universe began. Along the way, he confronts some really big questions: What is matter really made of? How does the stuff around us escape annihilation in the fearsome heat of the Big Bang? And will we ever be able to understand the very first moments of our universe? In pursuit of answers, Cliff ventures to the largest underground research facility in the world, deep beneath Italy's Gran Sasso mountains, where scientists gaze into the heart of the Sun using the most elusive of particles, the ghostly neutrino. He visits CERN in Switzerland to explore the 'Antimatter Factory' where this stuff of science fiction is manufactured daily (and we're close to knowing whether it falls upwards). And he reveals what the latest data from the Large Hadron Collider may be telling us about the fundamental ingredients of matter. Along the way, Cliff illuminates the history of physics, chemistry, and astronomy that brought us to our present understanding of the world, while offering readers a front-row seat to one of the most dramatic intellectual journeys human beings have ever embarked on. A transfixing deep dive into origins of our world, How to Make an Apple Pie from Scratch doesn't just put the makeup of our universe under the microscope, but the awe-inspiring, improbable fact that it exists at all.

This thesis makes two important contributions to plasma physics. The first is the extension of the seminal theoretical works of Spitzer and Braginskii, which describe the basics of particle interactions in plasma, to relativistic systems. Relativistic plasmas have long been studied in high-energy astrophysics and are becoming increasingly attainable in the laboratory. The second is the design of a new class of photon-photon collider, which is the first capable of detecting the Breit-Wheeler process. Though it offers the simplest way for light to be converted into matter, the process has never been detected in the 80 years since its theoretical prediction. The experimental scheme proposed here exploits the radiation used in inertial confinement fusion experiments and could in principle be implemented in one of several current-generation facilities.

Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled Dynamics, Spectroscopy, Clusters, and Nanostructures ) deals with the topics of Quantum Dynamics and Spectroscopy, Complexes and Clusters, and Nanostructures and Complex Systems .

This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering."

Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.

A molecular view on the fundamental issues in polymer physics is provided with an aim at students in chemistry, chemical engineering, condensed matter physics and material science courses. An updated translation by the author, a renowned Chinese chemist, it has been proven to be an effective source of learning for many years. Up-to-date developments are reflected throughout the work in this concise presentation of the topic. The author aims at presenting the subject in an efficient manner, which makes this particularly suitable for teaching polymer physics in settings where time is limited, without having to sacrifice the extensive scope that this topic demands.

ways in which the magnetic interaction between neutrons and magnetic moments can yield information on the magnetization densities of thin ?lms and multilayers. I commend the organizers for having organized a group of expert lecturers to present this subject in a detailed but clear fashion, as the importance of the subject deserves. Argonne, IL S. K. Sinha Contents 1 The Interaction of X-Rays (and Neutrons) with Matter . . . . . . . . . . . . . . 1 F. de Bergevin 1. 1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1. 2 Generalities and De?nitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 1. 3 From the Scattering by an Object to the Propagation in a Medium . 14 1. 4 X-Rays . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 1. 5 X-Rays: Anisotropic Scattering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47 1. A Appendix: the Born Approximation . . . . . . . . . . . . . . . . . . . . . . . . . . 54 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56 2 Statistical Aspects of Wave Scattering at Rough Surfaces . . . . . . . . . . . . 59 A. Sentenac and J. Daillant 2. 1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59 2. 2 Description of Randomly Rough Surfaces . . . . . . . . . . . . . . . . . . . . . 60 2. 3 Description of a Surface Scattering Experiment, Coherence Domains . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67 2. 4 Statistical Formulation of the Diffraction Problem . . . . . . . . . . . . . . 72 2. 5 Statistical Formulation of the Scattered Intensity Under the Born Approximation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84 3 Specular Re?ectivity from Smooth and Rough Surfaces . . . . . . . . . . . . . 85 A. Gibaud and G. Vignaud 3. 1 The Re?ected Intensity from an Ideally Flat Surface . . . . . . . . . . . . 85 3. 2 X-Ray Re?ectivity in Strati?ed Media . . . . . . . . . . . . . . . . . . . . . . . . 98 3. 3 From Dynamical to Kinematical Theory . . . . . . . . . . . . . . . . . . . . . . 107 3. 4 In?uence of the Roughness on the Matrix Coef?cients . . . . . . . . . . 111 3. A Appendix: The Treatment of Roughness in Specular Re?ectivity . . 113 3. B Appendix: Inversion of re?ectivity data . . . . . . . . . . . . . . . . . . . . . . .