Annealing mechanisms of intrinsic defects in 3C-SiC: a theoretical study

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dc.creatorBockstedte, Michel
dc.creatorMattausch, Alexander
dc.creatorPankratov, Oleg
dc.date2003-09-30
dc.date.accessioned2026-07-07T02:53:54Z
dc.date.available2026-07-07T02:53:54Z
dc.descriptionThe annealing kinetics of mobile intrinsic defects is investigated by an ab initio method based on density functional theory. The interstitial-vacancy recombination, the diffusion of vacancies and interstitials to defect sinks (e.g. surfaces or dislocations) as well as the formation of interstitial-clusters are considered. The calculated migration and reaction barriers suggest a hierarchical ordering of competing annealing mechanisms. The higher mobility of carbon and silicon interstitials as compared to the vacancies drives the annealing mechanims at lower temperatures including the vacancy-interstitial recombination and the formation of interstitial carbon clusters. These clusters act as a source for carbon interstials at elevated temperatures. In p-type material we discuss the transformation of the silicon vacancy into the more stable vacancy-antisite complex as an annealing mechanism, which is activated before the vacancy migration. Recent annealing studies of vacancy-related centers in irradiated 3C- and 4H-SiC and semi-insulating 4H-SiC are interpreted in terms of the proposed hierarchy of annealing mechanisms.
dc.identifierhttps://arxiv.org/abs/cond-mat/0309703
dc.identifierhttp://arxiv.org/abs/cond-mat/0309703
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22338
dc.subjectMaterials Science
dc.titleAnnealing mechanisms of intrinsic defects in 3C-SiC: a theoretical study
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