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Publication
International Journal of Quantum Chemistry
Paper
Green's function scattering‐theoretic methods for point defects, surfaces, and interfaces in solids
Abstract
We have recently developed novel ways to describe the electronic structure of point defects, surfaces, and interfaces in semiconductors, making use of the original Koster‐Slater ideas for localized perturbations in otherwise periodic solids. In this article we give a brief review of the method and our applications to the vacancy, free surfaces, and interfaces of several tetrahedral semiconductors and SiO2, using both empirical tight‐binding and self‐consistent Hamiltonians. Copyright © 1978 John Wiley & Sons, Inc.