Abstract
Charging affects the geometry and relaxations of intrinsic bulk and surface defects in numerous ways. This chapter describes the various kinds of intrinsic point defects, clusters, and associates that exist within the semiconductor bulk or on the surface, and then summarizes the extensive literature about the variation of the corresponding structures with charge state. Group IV, III-V, and common oxide semiconductors such as ZnO and TiO2 are treated, as well as uncommon oxides such as UO2 and CoO. Most of the work describing bulk defects derives from density functional theory calculations. Many such calculations also exist for surface defects, though quite a few experimental studies by scanning tunneling microscopy have also been done. Defect symmetry, as well as the magnitude and direction of the relaxation by nearby atoms, is described in detail for many specific bulk and surface defect types, with special emphasis upon how these features depend upon charge state. Related results for defect clusters and associates are also described.
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(2009). Intrinsic Defects: Structure. In: Charged Semiconductor Defects. Engineering Materials and Processes. Springer, London. https://doi.org/10.1007/978-1-84882-059-3_5
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