Elementary Electronic StructureWorld 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 |
Other editions - View all
Common terms and phrases
alloy approximation arising band calculations band gap bond energy bond length bond orbitals bonding bands Brillouin Zone bulk modulus charge coefficients cohesive energy compounds conduction band contribution correct corresponding Coulomb covalent crystal deformation potentials density dipole direction discussed in Section displacement distortion effects elastic electronic structure electrostatic energy bands equal equations equilibrium spacing estimate evaluated experimental values factor Fermi energy Fermi surface frequency GaAs gallium arsenide germanium given gives Harrison homopolar homopolar semiconductors hybrids included interaction interatomic ionic lattice wavenumber levels matrix elements modes molecule nearest-neighbor neighbors nonbonding nonorthogonality noted obtain occupied optical overlap repulsion oxygen p-states parameters phonons Phys plane polar semiconductors polarization density predicted properties pseudopotential result semiconductors shift silicon solid solution spin Straub susceptibility symmetry term values tetrahedral tight-binding theory total energy transition metals transition-metal transverse valence band valence-band maximum vibrational Vsso wavefunction wavenumber x-direction zero