However, even for non-interacting defects, the energy of formation, which is then given by the sum of the formation energies of the separated defects (\unit[4.15]{eV}) is still higher than that of the C$_{\text{i}}$ \hkl<1 0 0> DB.
Unexpectedly, the structure of a Si$_{\text{i}}$ \hkl<1 1 0> DB and a neighbored C$_{\text{s}}$, which is the most favored configuration of C$_{\text{s}}$ and Si$_{\text{i}}$ according to quantum-mechanical calculations\cite{zirkelbach10b}, likewise constitutes an energetically favorable configuration within the EA description, which is even preferred over the two least separated configurations of C$_{\text{s}}$ and Si$_{\text{i}}$ T.
This is attributed to an effective reduction in strain enabled by the respective combination.
However, even for non-interacting defects, the energy of formation, which is then given by the sum of the formation energies of the separated defects (\unit[4.15]{eV}) is still higher than that of the C$_{\text{i}}$ \hkl<1 0 0> DB.
Unexpectedly, the structure of a Si$_{\text{i}}$ \hkl<1 1 0> DB and a neighbored C$_{\text{s}}$, which is the most favored configuration of C$_{\text{s}}$ and Si$_{\text{i}}$ according to quantum-mechanical calculations\cite{zirkelbach10b}, likewise constitutes an energetically favorable configuration within the EA description, which is even preferred over the two least separated configurations of C$_{\text{s}}$ and Si$_{\text{i}}$ T.
This is attributed to an effective reduction in strain enabled by the respective combination.