Hafner / Hulliger / Jensen The Structures of Binary Compounds

1. Auflage 2013
ISBN: 978-1-4832-9076-8
Verlag: Elsevier Science & Techn.
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band Volume 2, 390 Seiten, Web PDF

Reihe: Cohesion and Structure

- 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.

Autoren/Hrsg.

Hafner, J.

Hulliger, F.

Jensen, W. B.

Majewski, J. A.

Mathis, K.

Villars, P.

Vogl, P.

De Boer, F. R.

Inhaltsverzeichnis

1;Front Cover;1
2;The Structures of Binary Compounds;4
3;Copyright Page;5
4;Table of Contents;8
5;Preface;6
6;Chapter 1. Environment classification and structural stability;10
6.1;Abstract;11
6.2;1. Philosophy of structural stability maps;11
6.3;2. A simplified classification concept based on coordination number;12
6.4;3. The generalized structure types;26
6.5;4. Two-dimensional stability maps;27
6.6;5. Three-dimensional stability maps;78
6.7;6. Discussion and concluding remarks;96
6.8;References;111
7;Chapter 2. Crystal coordination formulas: A flexible notation for the;114
7.1;Abstract;115
7.2;1. Introduction;115
7.3;2. Crystal coordination formulas;121
7.4;3. Summary and conclusions;147
7.5;Appendix: Crystal coordination formulas and structure maps;147
7.6;References;154
8;Chapter 3. Quantum theory of structure: sp-bonded Systems;156
8.1;Abstract;158
8.2;1. Theoretical challenges in understanding the structures of solids and liquids . .;158
8.3;2. The reduction of the electron–ion Hamiltonian;161
8.4;3. Potentials and pseudopotentials;176
8.5;4. The structures of the elements;184
8.6;5. Structure and cohesion of binary alloys;213
8.7;6. Solid solutions;229
8.8;7. Intermetallic compounds;244
8.9;8. Liquid alloys;278
8.10;9. Conclusions and outlook;284
8.11;References;286
9;Chapter 4. Quantum theory of structure: tight-binding Systems;296
9.1;Abstract;302
9.2;1. Survey of crystal structure theories;302
9.3;2. Tight-binding theory of structural stability of crystals;308
9.4;3. Bonding in transition metals;331
9.5;4. Structural stability of pd-bonded compounds;337
9.6;5. Structural properties and crystal stability of sp-bonded solids;346
9.7;6. Conclusions;364
9.8;References;365
10;Author index;372
11;Subject index;384