already successfully modeled in a supercell containing 216 atoms as
described in PRB 66, 195214 (2002).
-% We would like to remind the referee that the properties of isolated,
-% non-intertacting defects were modeled in separate simulation runs. It
-% is not our purpose to separate defects by a large distance in order to
-% approximate the situation of isolated defects. We are rather
-% interested in interacting defects. However, we did find that for
-% increasing defect distances, configurations appear, which converge to
-% the energetics of two isolated defects. This is indicated by the
-% (absolute value of the) binding energy, which is approaching zero with
-% increasing distance. From this, we conclude a decrease in
-% interaction, which is already observable for defect separation
-% distances accessible in our simulations. Combinations of defects with
-% similar distances were already successfully modeled in a supercell
-% containing 216 atoms as described in PRB 66, 195214 (2002).
-
An explanation of the binding energy and the relation to the
interaction of defects was added (Change 8).
content corresponds to 'Results' section of BC11912
-Change 20: 'Summary' section added containing parts of 'Discussion and
- summary' section of BC11912
+Change 20: 'Summary of classical potential calculations' section added
+ containing parts of 'Discussion and summary' section of BC11912
Change 21: 'Conclusions' section added containing parts of the
'Discussion' section of BA11443 and the 'Discussion and
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