Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond

by Walter A. Harrison

Overview

Should be widely read by practicing physicists, chemists and materials scientists. -- Philosophical Magazine
In this comprehensive and innovative text, Professor Harrison (Stanford University) offers a basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals, and their compounds. The book illuminates the relationships of the electronic structures of these materials and shows how to calculate dielectric, conducting, and bonding properties for each. Also described are various methods of approximating electronic structure, providing insight and even quantitative results from the comparisons. Dr. Harrison has also included an especially helpful Solid State Table of the Elements that provides all the parameters needed to estimate almost any property of any solid, with a hand-held calculator, using the techniques developed in the book.
Designed for graduate or advanced undergraduate students who have completed an undergraduate course in quantum mechanics or atomic and modern physics, the text treats the relation between structure and properties comprehensively for all solids rather than for small classes of solids. This makes it an indispensable reference for all who make use of approximative methods for electronic-structure engineering, semiconductor development and materials science.
The problems at the ends of the chapters are an important aspect of the book. They clearly show that the calculations for systems and properties of genuine and current interest are actually quite elementary. Prefaces. Problems. Tables. Appendixes. Solid State Table of the Elements. Bibliography. Author and Subject Indexes.
Will doubtless exert a lasting influence on the solid-state physics literature. -- Physics Today

Product Details

ISBN-13:	9780486660219
Publisher:	Dover Publications
Publication date:	07/01/1989
Series:	Dover Books on Physics
Edition description:	Unabridged, Corrected
Pages:	608
Product dimensions:	6.14(w) x 9.21(h) x (d)

Table of Contents

Part I. Electron states
1. The quantum-mechanical basis
A. Quantum mechanics
B. Electronic structure of atoms
C. Electronic structure of small molecules
D. The simple polar bond
E. Diatomic molecules
2. Electronic structure of solids
A. Energy bands
B. Electron dynamics
C. Characteristic solid types
D. Solid state matrix elements
E. Calculation of spectra
Part II. Covalent solids
3. Electronic structure of simple tetrahedral solids
A. Crystal structures
B. Bond orbitals
C. The LCAO bands
D. The bond orbital approximation and extended bond orbitals
E. Metallicity
F. Planar and filamentary structures
4. Optical spectra
A. Dielectric susceptibility
B. Optical properties and oscillator strengths
C. Features of the absorption spectrum
D. chi subscript 1 and the dielectric constant
5. Other dielectric properties
A. Bond dipoles and higher-order susceptibilities
B. Effective atomic charge
C. Dielectric screening
D. Ternary compounds
E. Magnetic susceptibility
6. The energy bands
A. Accurate band structures
B. LCAO Interpretation of the bands
C. The conduction bands
D. Effective masses
E. Impurity states and excitons
7. The total energy
A. The overlap interaction
B. Bond length, cohesive energy, and the bulk modulus
C. Cohesion in polar covalent solids
8. Elasticity
A. Total energy calculations
B. Rigid hybrids
C. Rehybridization
D. The Valence force field
E. Internal displacements, and prediction of c subscript 44
9. Lattice Vibrations
A. The Vibration spectrum
B. Long range forces
C. Phonons and the specific heat
D. The transverse charge
E. Piezoelectricity
F. The Electron-phonon interaction
10. Surfaces and defects
A. Surface energy and crystal shapes
B. Surface reconstruction
C. The elimination of surface states, and Fermi level pinning
D. Adsorption of atoms and the 7 x 7 reconstruction pattern
E. Defects and amorphous semiconductors
F. Photothresholds and heterojunctions
11. Mixed tetrahedral solids
A. Tetrahedral complexes
B. The crystal structure and the simple molecular lattice
C. The bonding unit
D. Bands and electronic spectra
E. Mechanical properties
F. Vibrational spectra
G. Coupling of vibrations to the infrared
Part III Closed-shell systems
12. Inert-gas solids
A. Interatomic interactions
B. Electronic properties
13. Ionic compounds
A. The crystal structure
B. Electrostatic energy and the Madelung potential
C. Ion-Ion Interactions
D. Cohesion and Mechanical Properties
E. Structure Determination and Ionic Radii
14. Dielectric properties of ionic crystals
A. Electronic structure and spectra
B. Dielectric susceptibility
C. Effective charges and ion softening
D. Surfaces and molten ionic compounds
Part IV Open-shell systems
15. Simple metals
A. History of the theory
B. The Free-electron theory of metals
C. Electrostatic energy
D. The empty-core pseudopotential
E. Free-electron energy
F. Density, bulk modulus, and cohesion
16. Electronic structure of metals
A. Pseudopotential perturbation theory
B. Pseudopotentials in the perfect lattice
C. Electron diffraction by pseudopotentials
D. Nearly-free-electron bands and Fermi surfaces
E. Scattering by defects
F. Screening
17. Mechanical properties of metals
A. The band-structure energy
B. The effective interaction between ions, and higher-order terms
C. The phonon spectrum
D. The electron-phonon interaction and the electron-phonon coupling constant
E. Surfaces and liquids
18. Pseudopotential theory of covalent bonding
A. The prediction of interatomic matrix elements
B. The Jones zone gap
C. Covalent and polar contributions
D. Susceptibility
E. Bonding properties
F. Ionic bonding
G. Interfaces and Heterojunctions
19. Transition-metal compounds
A. d States in solids
B. Monoxides: Miltiplet d States
C. Perovskite structures; d Bands
D. Other compounds
E. The Perovskite ghost
F. The chemical grip
G. The electrostatic stability of Perovskites
H. The electron-phonon interaction
20 Transition metals
A. The bands
B. The electronic properties and density of states
C. Cohesion, bond length, and compressibility
D. Muffin-Tin Orbitals and the Atomic Sphere Approximation
E. d Resonances and transition-metal pseudopotentials
F. Local moments and magnetism
Appendix A. The One-electron approximation
Appendix B. Nonorthogonality of basis states
Appendix C. The overlap interaction
Appendix D. Quantum-mechanical formulation of pseudopotentials
Appendix E. Orbital corrections
Solid state table of the elements
Bibliography and author index
Subject index