X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=posic%2Fthesis%2Fdefects.tex;h=4435c969b552fe668e2276504ff4ddd9602047a6;hb=a7b3adec0ef2a758c4cd6e2ad4e420c3b921235a;hp=4164f87babab2b8b812d5fec0e5838897f7c0892;hpb=310bffcd528fc44b221a34ca72f60ef949e7a2e4;p=lectures%2Flatex.git diff --git a/posic/thesis/defects.tex b/posic/thesis/defects.tex index 4164f87..4435c96 100644 --- a/posic/thesis/defects.tex +++ b/posic/thesis/defects.tex @@ -1321,7 +1321,9 @@ In the same way the energetically most unfavorable configuration can be explaine The substitutional C is located next to the lattice site shared by the \hkl<1 1 0> Si self-interstitial along the \hkl<1 -1 0> direction. Thus, the compressive stress along \hkl<1 1 0> of the Si \hkl<1 1 0> interstitial is not compensated but intensified by the tensile stress of the substitutional C atom, which is no longer loacted along the direction of stress. -{\color{red}Todo: Mig of C-Si DB conf to or from C sub + Si 110 int conf.} +{\color{red}Todo: Erhart/Albe calc for most and less favorable configuration!} + +{\color{red}Todo: Mig of C-Si DB conf to or from C sub + Si 110 in progress.} \section{Migration in systems of combined defects} @@ -1397,6 +1399,7 @@ At a displacement of 60 \% these bonds are broken. Due to this and due to the formation of new bonds, that is the bond of silicon atom number 1 to silicon atom number 5 and the bond of the carbon atom to its siliocn neighbour in the bottom left, a less steep increase of free energy is observed. At a displacement of approximately 30 \% the bond of silicon atom number 1 to the just recently created siliocn atom is broken up again, which explains the repeated boost in energy. Finally the system gains energy relaxing into the configuration of zero displacement. +{\color{red}Todo: Direct migration of C in progress.} Due to the low binding energy observed, the configuration of the vacancy created at position 3 is assumed to be stable against transition. However, a relatively simple migration path exists, which intuitively seems to be a low energy process.