Growth of Crystals

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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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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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Hartmut Zabel, Stuart Solin

This book covers the basic physics and chemistry of graphite intercalation compounds. Emphasis is laid on the layered or quasi-two-dimensional structure of these compounds, which provides an exciting arena for testing physical concepts in lower dimensions. The chapters in this volume, all of which have been written by internationally recognized experts in the field, cover the following topics: the structure and phase transitions of intercalate atoms and molecules in graphite, the physics of staging formation and staging transitions, the lattice dynamics of these compounds as determined by inelastic neutron scattering and optical methods, the diffusivity of the guest species, mesoscopic properties such as domain structures and stacking arrangements, and the synthesis of new compounds. The reviews provide a comprehensive overview of the current status of the field of two- dimensional physics.

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Olivier Kahn

Molecular magnetism is a new field of research dealing with the synthesis and study of the physical properties of molecular assemblies involving open-shell units. It is essentially interdisciplinary, joining together organic, organometallic and inorganic chemists, as well as theoreticians, physicists and materials scientists. At the core of research into molecular magnetism lie design and synthesis of new molecular assemblies exhibiting bulk properties such as long-range magnetic ordering or bistability with an hysteresis effect, which confers a memory effect on the system. In such terms, magnetism may be considered a supramolecular function. The first eight contributions to this volume present the state of the art in organic supramolecular chemistry, emphasising interlocked systems and molecular trees. The following six articles are devoted to molecular materials constructed from organic radicals and transition metal units. Molecular bistability is then focused on, followed by metal-organic and coordination magnetic materials. A new approach to nano-sized particles closes the work.