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Ellipsoidal Fitting Methodology for Defect Clusters in Gallium Arsenide

Hehr, Brian D.

In assessing the initial spatial distribution of defects from neutron or heavy ion irradiation, it is useful to have a reliable, automated, and fast-running tool to evaluate characteristic metrics such as the number of sub-clusters or the overall cluster volume. The latter metric, for instance, can be utilized to estimate a reference neutron fluence level at which inter-cluster interaction effects begin to become significant. This paper details a methodology to fit an arbitrarily complex defect map with a set of ellipsoids (one per identified sub-cluster) in which the constituent defects of a sub-cluster are determined using fuzzy degree-of-membership analysis. Specifically, a parameterized model is developed for point defects in gallium arsenide. Cluster volume calculations based on the model are compared against convex hull and single- ellipsoid representations. Results show that the parameterized sub-cluster model begins to deviate from the two reference models at a recoil energy of about 100 keV in GaAs, with the convex hull and single-ellipsoid representations increasingly overestimating the volume thereafter.