Abstract
This paper describes a theoretical investigation of the phase composition of oxide precipitates and the corresponding emission of self-interstitials at the minimum of the free energy and their evolution with increasing number of oxygen atoms in the precipitates. The results can explain the compositional evolution of oxide precipitates and the role of self-interstitials therein. The formation of suboxides at the edges of SiO2 precipitates after reaching a critical size can explain several phenomena like gettering of Cu by segregation to the suboxide region and lifetime reduction by recombination of minority carriers in the suboxide. It provides an alternative explanation, based on minimized free energy, to the theory of strained and unstrained plates. A second emphasis was payed to the evolution of the morphology of oxide precipitates. Based on the comparison with results from scanning transmission electron microscopy the sequence of morphology evolution of oxide precipitates was deduced. It turned out that it is opposite to the sequence assumed until now.
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