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Preface. 1. Environment classification and structural stability maps (P. Villars, K. Mathis, F. Hulliger). Philosophy of structural stability maps. A simplified classification concept based on coordination number. The generalized structure types. Two-dimensional stability maps. Three-dimensional stability maps. Discussion and concluding remarks. 2. Crystal coordination formulas (W.B. Jensen). Introduction. Crystal coordination formulas. Summary and conclusions. Appendix: Crystal coordination formulas and structure maps. 3. Quantum theory of structure: sp-bonded systems (J. Hafner). Theoretical challenges in understanding the structures of solids and liquids. The reduction of the electron-ion Hamiltonian. Potentials and pseudo-potentials. The structures of the elements. Structure and cohesion of binary alloys. Solid solutions. Intermetallic compounds. Liquid alloys. Conclusions and outlook. 4. Quantum theory of structure: tight-binding systems (J.A. Majewski, P. Vogl). Survey of crystal structure theories. Tight-binding theory of structural stability of crystals. Bonding in transition metals. Structural stability of pd-bonded compounds. Structural properties and crystal stability of sp-bonded solids. Conclusions. (All chapters contain references). Author index. Subject index.
- Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues.
- Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure.
- Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen.
- Recent important advances in understanding the quantum mechanical origin of structural stability presented in two clearly-written chapters by leading experts in the field: Hafner, Majewski and Vogl.
The Structures of Binary Compounds'' presents not only the most up-to-date compilation of the experimental data on the structures of binary compounds, but also the recent important theoretical advances in understanding the quantum-mechanical origin of structural stability. In addition to this volume, a large wall chart displaying the structure maps for the AB, ABs and AB3 stoichiometries together with the corresponding co-ordination polyhedra, has been published.
The first half of the book details the successful ordering of the known experimental data in two- or three-dimensional coloured structure maps, the 150 most frequently occurring structure types being characterized for the first time by their local co-ordination polyhedra.
The second half of the book details the success of first-principle theoretical calculations within the Local Density Functional Approximation in predicting the correct ground state structures of binary semiconductors, insulators and metals. The book concludes with a chapter on the cohesion and structure of solids from the more localized tight-binding point of view.
- © North Holland 1989
- 12th January 1990
- North Holland
- eBook ISBN:
@qu:In conclusion, the volume is a valuable tool owing to the fact that recent developments concerning structural aspects of solids are presented in their context. Not only the extensive ground that is covered but also the depth and accuracy of the discussion give the article of Hafner its special merit. @source:Journal of the Less Common Metals