In Chemical Bonding in Solids, renowned chemist Jeremy K. Burdett offers a clear and much-needed synthesis of chemical bonding theory and solid state structural considerations. Over the past fifteen years, the delocalized orbital model favored by molecular chemists--the model of choice for understanding a plethora of organic, inorganic, and organometallic chemistry phenomena--has been effectively used for infinite solid-state arrays. In addition, other concepts originating from molecular chemistry--including overlap population analysis, topological aspects of the Hamiltonian matrix, and eigenvalue and eigenvector forms--have been increasingly added to the physicist's arsenal. Focusing on insights proffered by both chemists and physicists, this book documents cutting-edge approaches to the computation of the electronic band structures of materials, attempts to understand their origin, the use of results to make predictions concerning the properties of such materials, and the extraction of general ideas concerning structure and bonding. Copiously illustrated and extremely well-written, Chemical Bonding in Solids is the ideal introduction for graduate students and for researchers interested in applying the latest theoretical ideas to applied efforts in synthesizing and characterizing important new materials.
1. Molecules
1.1. The H2 Molecule: Molecular Orbital Approach
1.2. The H2 Molecule: Localized Approach
1.3. Energy Levels of HHe
1.4. Energy Levels of Linear Conjugated Molecules
1.5. Energy Levels of Cyclic Polynenes
1.6. Energy Differences and Moments
1.7. The Jahn-Teller Effects
2. From Molecules to Solids
2.1. The Solid as a Giant Molecule
2.2. Some Properties of Solids from the Band Picture
2.3. Two Atom Cells
2.4. The Peierls Distortion
2.5. Other One-Dimensional Systems
2.6. Second Order Peierls Distortions
3. More Details Concerning Energy Bands
3.1. The Brillouin Zone
3.2. The Fermi Surface
3.3. Symmetry Considerations
4. The Electronic Structure of Solids
4.1. Oxides with the NaCl, TiO2 and MoO2 Structures
4.2. The Diamond and Zincblende Structures
4.3. "Localization" and "Delocalized" Orbitals in Solids
4.4. The Structure of NbO
4.5. Chemical Bonding in Ionic Compounds
4.6. The Transition Metals
4.7. The Free-Electron Model
4.8. Compounds Between Transition Metals and Main Group Elements
4.9. The Nickel Arsenide and Related Structures
4.10. Molecular Metals
4.11. Division into Electronic Types
5. Metals and Insulators
5.1. The Importance of Structure and Composition
5.2. The Structures of Calcium and Zinc
5.3. Geometrical Instabilities
5.4. Importance of Electron-Electron Interactions
5.5. Transition Metal and Rare Earth Oxides
5.6. Effect of Doping
5.7. Superconductivity in the C60 Series
5.8. High-Temperature Superconductors
6. The Structures of Solids and Pauling's Rules
6.1. General Description of Ion Packings
6.2. The First Rule
6.3. The Second Rule
6.4. The Third Rule
6.5. The Fifth Rule
6.6. The Description of Solids in Terms of Pair Potentials
7. The Structures of Some Covalent Solids
7.1. Electron Counting
7.2. Change of Structure with Electron Count
7.3. Structures of Some AX2 Solids
7.4. Structures Derived from Simple Cubic or Rocksalt
7.5. The Stability of the Rocksalt and Zincblende Structures
7.6. The Structures of the Spinels
7.7. Distortions of the Cadmium Halide Structure
7.8. Distortions of the Cadmium Halide Structure: Trigonal Prismatic Coordination
7.9. Distortions of the Cadmium Halide Structure t2g Block Instabilities
7.10. The Rutile Versus Cadmium Halide Versus Pyrite Structures
7.11. Second Order Structural Changes
8. More About Structures
8.1. The Structures of the Elements
8.2. The Structures of Some Main Group Intermetallic Compounds
8.3. The Hume-Rothary Rules
8.4. Pseudopotential Theory
8.5
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