Elementary Electronic Structure

Front Cover
World Scientific, 2004 - 838 pages
This is a revised edition of the 1999 text on the electronic structure and properties of solids, similar in spirit to the well-known 1980 text Electronic Structure and the Properties of Solids. The revisions include an added chapter on glasses, and rewritten sections on spin-orbit coupling, magnetic alloys, and actinides. The text covers covalent semiconductors, ionic insulators, simple metals, and transition-metal and f-shell-metal systems. It focuses on the most important aspects of each system, making what approximations are necessary in order to proceed analytically and obtain formulae for the properties. Such back-of-the-envelope formulae, which display the dependence of any property on the parameters of the system, are characteristic of Harrison's approach to electronic structure, as is his simple presentation and his provision of all the needed parameters.In spite of the diversity of systems and materials, the approach is systematic and coherent, combining the tight-binding (or atomic) picture with the pseudopotential (or free-electron) picture. This provides parameters ? the empty-core radii as well as the covalent energies ? and conceptual bases for estimating the various properties of all these systems. Extensive tables of parameters and properties are included.The book has been written as a text, with problems at the end of each chapter, and others can readily be generated by asking for estimates of different properties, or different materials, than those treated in the text. In fact, the ease of generating interesting problems reflects the extraordinary utility and simplicity of the methods introduced. Developments since the 1980 publication have made the theory simpler and much more accurate, besides allowing much wider application.
 

Contents

The Basic Approach
1
The Total Energy
15
Ionic Insulators
36
Bonding in Tetrahedral Semiconductors
53
The Metallic Energy Vi
63
F Total Energies and Coulomb Effects
69
The Dependence of Energy upon Volume
84
Structural Stability and Moments
93
Covalent Insulators SiO2
399
The Refractive Index
418
Summary of the SiO2 Study
424
Simple Metals Electronic Structure
434
Simple Metals Bonding Properties
483
Transition Metals
530
G Crystal Structure Determination
576
fShell Metals
593

Elastic Properties of Semiconductors
107
B Graphitic Distortion and Internal Displacements
113
Vibrational Frequencies
124
The Dielectric Properties of Semiconductors
142
Semiconductor Energy Bands
179
Electronic Properties
214
Effects of Lattice Distortions
254
Impurities and Defects
293
Bonding In Ionic Crystals
324
Elastic Properties of Ionic Crystals
353
Dielectric Properties of Ionic Solids
379
TransitionMetal AB Compounds
641
Other Transition and fShell Compounds
679
Surfaces and Interfaces
714
Other Systems
752
Glasses
787
Author Index
807
107
809
111
819
121
827
126
833
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