X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=posic%2Fthesis%2Fdefects.tex;fp=posic%2Fthesis%2Fdefects.tex;h=4bb2677620a401acb789cec3ff7107d31e2b5fd6;hp=ec6a210db78fd944243f90aa958b50ee643a6259;hb=de15a616e358375e0fe22841c5776933d9e1f75c;hpb=308fce67d5c701822d5cb2d960a056644498cd03 diff --git a/posic/thesis/defects.tex b/posic/thesis/defects.tex index ec6a210..4bb2677 100644 --- a/posic/thesis/defects.tex +++ b/posic/thesis/defects.tex @@ -388,7 +388,7 @@ On the other hand, the C atom forms an almost collinear bond ($\theta_3$) with t This is supported by the image of the charge density isosurface in Fig.~\ref{img:defects:charge_den_and_ksl}. The two lower Si atoms are $sp^3$ hybridized and form $\sigma$ bonds to the Si DB atom. The same is true for the upper two Si atoms and the C DB atom. -In addition the DB atoms form $\pi$ bonds. +In addition, the DB atoms form $\pi$ bonds. However, due to the increased electronegativity of the C atom the electron density is attracted by and, thus, localized around the C atom. In the same figure the Kohn-Sham levels are shown. There is no magnetization density.