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The state-of-the-art theoretical studies of ground state properties, electronic states and atomic vibrations for bulk semiconductors and their surfaces by the application of the pseudopotential method are discussed. Studies of bulk and surface phonon modes have been extended by the application of the phenomenological bond charge model. The coverage of the material, especially of the rapidly growing and technologically important topics of surface reconstruction and chemisorption, is up-to-date and beyond what is currently available in book form. Although theoretical in nature, the book provides a good deal of discussion of available experimental results. Each chapter provides an adequate list of references, relevant for both theoretical and experimental studies. The presentation is coherent and self-contained, and is aimed at the postgraduate and postdoctoral levels.
Contents:
- Crystal Structure and Symmetry
- Basic Ingredients for Ab Initio Theory
- Plane Wave Pseudopotential Theory
- Methods of Achieving Simultaneous Relaxation of Electronic and Ionic Degrees of Freedom
- Quasi-Particle Theory of Electronic Band Structure Calculation
- Methods of Calculating Phonon Frequencies
- Bulk Semiconductors
- Clean Semiconductor Surfaces
- Adsorbate Covered Semiconductor Surfaces
- Alloys and Low-Dimensional Systems
- Bulk and Surface Defects
Readership: Condensed matter physicists and engineers.
