From: hackbard Date: Fri, 24 Jun 2011 12:19:52 +0000 (+0200) Subject: small changes to abstract X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;ds=inline;h=4a4cebd2e5ec468cfa0eeabd511f349cf46be379;hp=7af6f6737aca2a425283997d593629ed2d4bb085;p=lectures%2Flatex.git small changes to abstract --- diff --git a/posic/publications/sic_prec_merge.tex b/posic/publications/sic_prec_merge.tex index 9743fb2..f0b85a2 100644 --- a/posic/publications/sic_prec_merge.tex +++ b/posic/publications/sic_prec_merge.tex @@ -36,7 +36,8 @@ \begin{abstract} Atomistic simulations on the silicon carbide precipitation in bulk silicon employing both, classical potential and first-principles methods are presented. -These aime to clarify a controversy concerning the precipitation mechanism as revealed from literature. +%These aime to clarify a controversy concerning the precipitation mechanism as revealed from literature. +The calculations aim at a comprehensive, microscopic understanding of the precipitation mechanism in the context of controversial discussions in the literature. % For the quantum-mechanical treatment, basic processes assumed in the precipitation process are calculated in feasible systems of small size. The migration mechanism of a carbon \hkl<1 0 0> interstitial and silicon \hkl<1 1 0> self-interstitial in otherwise defect-free silicon using density functional theory calculations are investigated. @@ -47,6 +48,7 @@ The formation of structures involving strong carbon-carbon bonds turns out to be In contrast, substitutional carbon occurs in all probability. A long range capture radius has been observed for pairs of interstitial carbon as well as interstitial carbon and vacancies. A rather small capture radius is predicted for substitutional carbon and silicon self-interstitials. +% We derive conclusions on the precipitation mechanism of silicon carbide in bulk silicon and discuss conformability to experimental findings. % Furthermore, results of the accurate first-principles calculations on defects and carbon diffusion in silicon are compared to results of classical potential simulations revealing significant limitations of the latter method.