Treatise on Materials Science and Technology, Volume 21: Electronic Structure and Properties covers the developments in electron theory and electron spectroscopies. The book discusses the electronic structure of perfect and defective solids; the photoelectron spectroscopy as an electronic structure probe; and the electron-phonon interaction. The text describes the elastic properties of transition metals; the electrical resistivity of metals; as well as the electronic structure of point defects in metals. Metallurgists, materials scientists, materials engineers, and students involved in the related fields will find the book useful.

With more than 40% new and revised materials, this second edition offers researchers and students in the field a comprehensive understanding of fundamental molecular properties amidst cutting-edge applications. Including ~70 Example-Boxes and summary notes, questions, exercises, problem sets, and illustrations in each chapter, this publication is also suitable for use as a textbook for advanced undergraduate and graduate students. Novel material is introduced in description of multi-orbital chemical bonding, spectroscopic and magnetic properties, methods of electronic structure calculation, and quantum-classical modeling for organometallic and metallobiochemical systems. This is an excellent reference for chemists, researchers and teachers, and advanced undergraduate and graduate students in inorganic, coordination, and organometallic chemistry.

The Actinides: Electronic Structure and Related Properties, Volume I reviews major advances that have been made concerning the electronic structure and properties of actinide elements, alloys, and compounds. The electronic energy band structure and magnetic properties of the actinides are examined, and results of hyperfine and neutron scattering studies are presented. Comprised of six chapters, this book opens with a historical introduction to actinide research followed by a chapter on crystal field theory that discusses the behavior of 5f electrons in actinide compounds when exposed to strong crystal-field interactions, with emphasis on the strong intra-atomic correlation between electrons. The following chapters discuss the electronic energy band structure of the actinide metals, as derived from energy band theory; the magnetic properties of the actinide compounds in relation to their electronic structure; and the microscopic electronic properties of actinide metals and compounds obtained from nuclear magnetic resonance and neutron scattering studies. The final chapter summarizes the unique contribution by slow neutron-scattering experiments. This volume will be useful to scientists involved in work on the actinides as well as newcomers in the field.

Most textbooks in the field are either too advanced for students or don’t adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work. Developed from the author’s lecture notes, this classroom-tested book takes a microscopic view of materials as composed of interacting electrons and nuclei. It explains all the properties of materials in terms of basic quantities of electrons and nuclei, such as electronic charge, mass, and atomic number. Based on quantum mechanics, this first-principles approach does not have any adjustable parameters. The first half of the text presents the fundamentals and methods of electronic structure. Using numerous examples, the second half illustrates applications of the methods to various materials, including crystalline solids, disordered substitutional alloys, amorphous solids, nanoclusters, nanowires, graphene, topological insulators, battery materials, spintronic materials, and materials under extreme conditions. Every chapter starts at a basic level and gradually moves to more complex topics, preparing students for more advanced work in the field. End-of-chapter exercises also help students get a sense of numbers and visualize the physical picture associated with the problem. Students are encouraged to practice with the electronic structure calculations via user-friendly software packages.

Electronic Structure Crystallography and Functional Motifs of Materials Detailed resource on the method of electronic structure crystallography for revealing the experimental electronic structure and structure-property relationships of functional materials Electronic Structure Crystallography and Functional Motifs of Materials describes electronic structure crystallography and functional motifs of materials, two of the most challenging topics to realize the rational design of high-performance functional materials, emphasizing the physical properties and structure-property relationships of functional materials using nonlinear optical materials as examples. The text clearly illustrates how to extract experimental electronic structure information and relevant physicochemical properties of materials based on the theories and methods in X-ray crystallography and quantum chemistry. Practical skills of charge density studies using experimental X-ray sources are also covered, which are particularly important for the future popularization and development of electron structure crystallography. This book also introduces the related theories and refinement techniques involved in using scattering methods (mainly X-ray single-crystal diffraction, as well as polarized neutron scattering and Compton scattering) to determine experimental electronic structures, including the experimental electron density, experimental electron wavefunction, and experimental electron density matrix of crystalline materials. Electronic Structure Crystallography and Functional Motifs of Materials includes information on: Basic framework and assumptions of the first-principle calculations, density matrix and density function, and Hartree-Fock (HF) and Kohn-Sham (KS) methods Analysis of topological atoms in molecules, chemical interaction analysis, coarse graining and energy partition of the density matrix, and restricted space partition Principles of electronic structure measurement, including thermal vibration analysis, scattering experiments, and refinement algorithm for experimental electronic structure Independent atom model, multipole model, X-ray constrained wavefunction model, and other electron density models Electronic Structure Crystallography and Functional Motifs of Materials is an ideal textbook or reference book for graduate students and researchers in chemistry, physics, and material sciences for studying the structures and properties of functional crystalline materials.

"The book also presents 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."--BOOK JACKET.

An important graduate textbook in condensed matter physics by highly regarded physicist.

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understanding properties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to either understand the results of quantitative calculations or to rationalize experimental observations. Extensive use of the orbital interaction approach appears to be a very efficient way of building bridges between physically and chemically based notions to understand the structure and properties of solids.

This book is the second volume in the Handbook of Surface Science series and deals with aspects of the electronic structure of surfaces as investigated by means of the experimental and theoretical methods of physics. The importance of understanding surface phenomena stems from the fact that for many physical and chemical phenomena, the surface plays a key role: in electronic, magnetic, and optical devices, in heterogenous catalysis, in epitaxial growth, and the application of protective coatings, for example. Therefore a better understanding and, ultimately, a predictive description of surface and interface properties is vital for the progress of modern technology. An investigation of surface electronic structure is also central to our understanding of all aspects of surfaces from a fundamental point of view. The chapters presented here review the goals achieved in the field and map out the challenges ahead, both in experiment and theory.