Theory of defect complexes

  • Sokrates T. Pantelides
Part II. Theory
Part of the Lecture Notes in Physics book series (LNP, volume 175)


Most methods that are used to describe point defects become cumbersome and impractical for defect complexes. Here, we review these methods and describe a simple alternative, which can provide both qualitative and semiempirical quantitative descriptions of the localized states associated with defect complexes. It is similar in spirit with the “defect-molecule” model which has sometimes been used for qualitative work, but is defined in a way that allows quantitative calculations. The method is particularly powerful for classes of complexes such as aggregates of identical point defects when the electronic structure of the primary point defect is known and for defects in wide-gap materials. lie review results obtained for multivacancies in Si and for several defects in SiO2.


Matrix Element Point Defect Defect Complex Dangling Bond Basis Orbital 
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Copyright information

© Springer-Verlag 1983

Authors and Affiliations

  • Sokrates T. Pantelides
    • 1
  1. 1.IBM Thomas J. Watson Research CenterYorktown HeightsUSA

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