Graphite Intercalation Compounds I

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Michael D. Kaplan, Benjamin G. Vekhter

This volume is the <em>first</em> detailed and comprehensive account of the cooperative Jahn-Teller effect-focusing on the qualitative side of the phenomena. In addition to covering all aspects of this phenomena, this well-illustrated volume features a discussion on the recent breakthroughs on how the properties of high-temperature superconductors may influence the cooperative Jahn-Teller effect. Researchers and students working in chemistry will find this volume to be an invaluable addition to their reference collection.

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Kiyoyuki Terakura, Hisazumi Akai

Structural stability is of fundamental importance in materials science. Up-to-date information on the theoretical aspects of phase stability of materials is contained in this volume. Most of the first-principles calculations are based on the local-density approximation (LDA). In contrast, this volume contains very recent results of "going beyond LDA", such as the density gradient expansion and the quantum Monte-Carlomethod. Following the recently introduced theoretical methods for the calculation of interatomic potentials, forces acting on atoms and total energies such as the Car-Parrinello, the effective-medium and the bond-ordermethod, attempts have been made to develop even more sophisticated methods such as the order-N method in electronic-structure calculations. The present status of these methods and their application to real systems are described. In addition, in order to study the phase stability atfinite temperatures, the microscopic calculations have to be combined with statistical treatment of the systems to describe, e.g. order-disorder transitions on the Si(001) surface or alloy phase diagrams. This book contains examples for this type of calculations.

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Boris Imelik, Jacques C. Vedrine

This unique reference critically analyzes the use and application of all major physical methods for determining the structure and behavior of catalysts. Each chapter presents a detailed description of a technique and its theoretical basis, a definition of its field of application, and examples of validity and limitation. Extensive cross referencing between chapters ensures seamless continuity as well as a holistic view of the field. This new edition covers the substantial progress made since its predecessor in characterization of catalysts.

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Clyde Arthur Morrison

A researcher trying to predict or interpret spectra of transition metal ionsin possible laser host materials is confronted with a variety of different methods of describing the same physical situation. This book provides a systematic approach to the applied theory of crystal-field interactions of transition metal ions in 49 crystalline hosts that are or show promise of being good laser materials. The tables that make up the main part of the book present the experimentally determined parameters of the 3dN, 4dN, and 5dN transition-metal ions in the second, third, and fourth ionization states. These parameters have been converted to Slater and crystal-field parameters. The book is a source for research workers in laser development and in crystal-field theory, and for graduate students of solid state chemistry and physics.