From: hackbard Date: Fri, 25 May 2012 20:25:39 +0000 (+0200) Subject: small mods of coauthors X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=commitdiff_plain;h=dc92faa0cd4395778583bf127f5246ae8df275b4 small mods of coauthors --- diff --git a/posic/publications/emrs2012.tex b/posic/publications/emrs2012.tex index d80d257..2627c46 100644 --- a/posic/publications/emrs2012.tex +++ b/posic/publications/emrs2012.tex @@ -54,10 +54,10 @@ Results of atomistic simulations aimed at understanding precipitation of the highly attractive wide band gap semiconductor material silicon carbide in silicon are presented. The study involves a systematic investigation of intrinsic and carbon-related defects as well as defect combinations and defect migration by both, quantum-mechanical first-principles as well as empirical potential methods. Comparing formation and activation energies, ground-state structures of defects and defect combinations as well as energetically favorable agglomeration of defects are predicted. -Moreover, the highly accurate {\em ab initio} calculations unveil limitations of the analytical method based on a Tersoff-like bond order potential. +Moreover, accurate {\em ab initio} calculations unveil limitations of the analytical method based on a Tersoff-like bond order potential. A work-around is proposed in order to subsequently apply the highly efficient technique on large structures not accessible by first-principles methods. The outcome of both types of simulation provides a basic microscopic understanding of defect formation and structural evolution particularly at non-equilibrium conditions strongly deviated from the ground state as commonly found in SiC growth processes. -A possible precipitation mechanism, which conforms well to experimental findings clarifying contradictory views present in the literature is outlined. +A possible precipitation mechanism, which conforms well to experimental findings and clarifies contradictory views present in the literature is outlined. } \maketitle