Understanding the electronic structure of solids is a basic part of theoretical investigation in physics. Application of investigative techniques requires the solid under investigation to be "periodic." However, this is not always the case. This volume addresses three classes of "non-periodic" solids currently undergoing the most study: alloys, surfaces and clusters. Understanding the electronic structure of these systems is fundamental not only for the basic science, but also constitutes a very important step in various technological aspects, such as tuning their stabilities, chemical and catalytic reactivities and magnetism. Expert practitioners give an up-to-date account of the field with enough detailed background so that even a newcomer can follow the development. The theoretical framework is discussed in addition to the present status of knowledge in the field. Electronic Structure of Alloys, Surfaces and Clusters also includes an extensive bibliography which provides a comprehensive reading list of work on the topic.

At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use because they require an excessive number of atoms per elementary cell, and are not able to account fully for e.g. substitu tional disorder and the true semiinfinite geometry of surfaces. Such problems can be solved more appropriately by Green function techniques and multiple scattering formalism.

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

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.

We present here the transcripts of lectures and talks which were delivered at the NATO ADVANCED STUDY INSTITUTE "Electrons in Disordered Hetals and at ~~etallic Surfaces" held at the State University of Ghent, Belgium between August 28 and September 9, 1978. The aim of these lectures was to highlight some of the current progress in our understanding of the degenerate electron 'liquid' in an external field which is neither uniform nor periodic. This theme brought together such topics as the electronic structure at metallic surfaces and in random metallic alloys, liquid metals and metallic glasses. As is the case in connection with infinite order ed crystals, the central issues to be discussed were the nature of the electronic spectra, the stability of the various phases and the occurrence of such phenomena as magnetism and supercon ductivity. In the theoretical lectures the emphasis was on detailed rea listic calculations based, more or less, on the density functional approach to the problem of the inhomogeneous electron liquid. How ever, where such calculations were not available, as in the case of magnetism in random alloys and that of metallic glasses, sim pler phenomenological models were used. The theoretical discussions were balanced by reviews of the most promising experimental techniques. Here the stress was on results and their relevance to the fundamental theory. lforeover, the attention had centered on those experiments which probe the electronic structure in the greatest detail.

It is now some 15 years since atomic clusters were first produced and investigated in laboratories. Since then, knowledge concerning clusters has enjoyed rapid and sustained growth, and cluster research has become a new branch of science.

It is widely recognized that an understanding of the physical and chemical properties of clusters will give a great deal of important information relevant to surface and bulk properties of condensed matter. This relevance of clusters for condensed matter is one of the major motivations for the study of atomic and molecular clusters. The changes of properties with cluster size, from small clusters containing only a few atoms to large clusters containing tens of thousands of atoms, provides a unique way to understand and to control the development of bulk properties as separated units are brought together to form an extended system. Another important use of clusters is as theoretical models of surfaces and bulk materials. The electronic wavefunctions for these cluster models have special advantages for understanding, in particular, the local properties of condensed matter. The cluster wavefunctions, obtained with molecular orbital theory, make it possible to relate chemical concepts developed to describe chemical bonds in molecules to the very closely related chemical bonding at the surface and in the bulk of condensed matter. The applications of clusters to phenomena in condensed matter is a cross-disciplinary activity which requires the interaction and collaboration of researchers in traditionally separate areas. For example, it is necessary to bring together workers whose background and expertise is molecular chemistry with those whose background is solid state physics. It is also necessary to bring together experimentalists and theoreticians.

Graduate-level textbook for physicists, chemists and materials scientists.

Nanoalloys: From Fundamentals to Emergent Applications presents and discusses the major topics related to nanoalloys at a time when the literature on the subject remains scarce. Particular attention is paid to experimental and theoretical aspects under the form of broad reviews covering the most recent developments. The book is organized into 11 chapters covering the most fundamental aspects of nanoalloys related to their synthesis and characterization, as well as their theoretical study. Aspects related to their thermodynamics and kinetics are covered as well. The coverage then moves to more specific topics, including optics, magnetism and catalysis, and finally to biomedical applications and the technologically relevant issue of self-assembly.With no current single reference source on the subject, the work is invaluable for researchers as the nanoscience field moves swiftly to full monetization. - Encapsulates physical science of structure, properties, size, composition and ordering at nanoscale, aiding synthesis of experimentation and modelling - Multi-expert and interdisciplinary perspectives on growth, synthesis and characterization of bimetallic clusters and particulates supports expansion of your current research activity into applications - Synthesizes concepts and draws links between fundamental metallurgy and cutting edge nanoscience, aiding interdisciplinary research activity

Catalytic reactions on metals are still nowadays involved in more than half of the chemical industrial processes. The winter school held at "I 'Ecole de in March 1996, 13 years after the first one, accounts Physique des Houches" for an evolution of the field in several directions. First, the emulation between theoretical chemistry and solid state physics has emerged on heuristic concepts, leading not only to explanations of the observed phenomena but, for the first time, to predictions of the reactivity of catalytic systems and of the reaction pathways. The second domain which during these years has become of primary importance is the abatement of the pollution. It concerns not only the conversion of polluting effluents but more and more major modifications of the processes to avoid the production of undesired products. Two striking examples are the necessary catalytic conversion of the 100 000 cubic meter of hydrogen that would be produced in a major incident of a nuclear power plant and the replacement of the CFC. The valorization of agricultural supplies can already be considered as one of the major achievement of catalysis. Indeed, the carbon of biosustainable raw materials represents more than 2 orders of magnitude the amount extracted from fossil fuels each year. Moreover, the molecules are already highly functionalised in contrast with hydrocarbons which require costly steps to be converted to the same products. They are now of current use in the elaboration of cosmetics, vitamins, polymers, etc.