Structures of Binary Compounds (eBook)

J. Hafner, F. Hulliger, W.B. Jensen, J.A. Majewski, K. Mathis, P. Villars, P. Vogl (Autoren)

F.R. de Boer (Herausgeber)

eBook Download: PDF

2013 | 1. Auflage
390 Seiten
Elsevier Science (Verlag)
978-1-4832-9076-8 (ISBN)

Infos

- 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.

Inhalt

Front Cover 1
The Structures of Binary Compounds 4
Copyright Page 5
Table of Contents 8
Preface 6
Chapter 1. Environment classification and structural stability 10
Abstract 11
1. Philosophy of structural stability maps 11
2. A simplified classification concept based on coordination number 12
3. The generalized structure types 26
4. Two-dimensional stability maps 27
5. Three-dimensional stability maps 78
6. Discussion and concluding remarks 96
References 111
Chapter 2. Crystal coordination formulas: A flexible notation for the 114
Abstract 115
1. Introduction 115
2. Crystal coordination formulas 121
3. Summary and conclusions 147
Appendix: Crystal coordination formulas and structure maps 147
References 154
Chapter 3. Quantum theory of structure: sp-bonded Systems 156
Abstract 158
1. Theoretical challenges in understanding the structures of solids and liquids . . 158
2. The reduction of the electron–ion Hamiltonian 161
3. Potentials and pseudopotentials 176
4. The structures of the elements 184
5. Structure and cohesion of binary alloys 213
6. Solid solutions 229
7. Intermetallic compounds 244
8. Liquid alloys 278
9. Conclusions and outlook 284
References 286
Chapter 4. Quantum theory of structure: tight-binding Systems 296
Abstract 302
1. Survey of crystal structure theories 302
2. Tight-binding theory of structural stability of crystals 308
3. Bonding in transition metals 331
4. Structural stability of pd-bonded compounds 337
5. Structural properties and crystal stability of sp-bonded solids 346
6. Conclusions 364
References 365
Author index 372
Subject index 384

Produkt-Details

• Erscheint lt. Verlag: 22.10.2013
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Geowissenschaften ► Mineralogie / Paläontologie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Elektrodynamik
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Festkörperphysik
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Quantenphysik
• Themenwelt: Technik
• ISBN-10: 1-4832-9076-X / 148329076X
• ISBN-13: 978-1-4832-9076-8 / 9781483290768