Chemical Bonding in Solids

by Burdett, Jeremy K.

• ISBN13: 9780195089912
• ISBN10: 019508991X
• Format: Hardcover
• Copyright: 1995-03-30
• Publisher: Oxford University Press

Summary

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.

Author Biography

Jeremy Burdett is Professor in the Chemistry Department and the James Franck Institute at the University of Chicago.

Table of Contents

Molecules

The H2 Molecule: Molecular Orbital Approach

The H2 Molecule: Localized Approach

Energy Levels of HHe

Energy Levels of Linear Conjugated Molecules

Energy Levels of Cyclic Polynenes

Energy Differences and Moments

The Jahn-Teller Effects

From Molecules to Solids

The Solid as a Giant Molecule

Some Properties of Solids from the Band Picture

Two Atom Cells

The Peierls Distortion

Other One-Dimensional Systems

Second Order Peierls Distortions

More Details Concerning Energy Bands

The Brillouin Zone

The Fermi Surface

Symmetry Considerations

The Electronic Structure of Solids

Oxides with the NaCl, TiO2 and MoO2 Structures

The Diamond and Zincblende Structures

"Localization" and "Delocalized" Orbitals in Solids

The Structure of NbO

Chemical Bonding in Ionic Compounds

The Transition Metals

The Free-Electron Model

Compounds Between Transition Metals and Main Group Elements

The Nickel Arsenide and Related Structures

Molecular Metals

Division into Electronic Types

Metals and Insulators

The Importance of Structure and Composition

The Structures of Calcium and Zinc

Geometrical Instabilities

Importance of Electron-Electron Interactions

Transition Metal and Rare Earth Oxides

Effect of Doping

Superconductivity in the C60 Series

High-Temperature Superconductors

The Structures of Solids and Pauling's Rules

General Description of Ion Packings

The First Rule

The Second Rule

The Third Rule

The Fifth Rule

The Description of Solids in Terms of Pair Potentials

The Structures of Some Covalent Solids

Electron Counting

Change of Structure with Electron Count

Structures of Some AX2 Solids

Structures Derived from Simple Cubic or Rocksalt

The Stability of the Rocksalt and Zincblende Structures

The Structures of the Spinels

Distortions of the Cadmium Halide Structure

Distortions of the Cadmium Halide Structure: Trigonal Prismatic Coordination

Distortions of the Cadmium Halide Structure t2g Block Instabilities

The Rutile Versus Cadmium Halide Versus Pyrite Structures

Second Order Structural Changes

More About Structures

The Structures of the Elements

The Structures of Some Main Group Intermetallic Compounds

The Hume-Rothary Rules

Pseudopotential Theory

The Structures of the First Row Elements

The Coloring Problem

Structural Stability and Band Gap

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