Even for the largest possible distance (R) achieved in the calculations of the periodic supercell a binding energy as low as \unit[-0.31]{eV} is observed.
The creation of a vacancy at position 1 results in a configuration of substitutional C on a Si lattice site and no other remaining defects.
The \ci{} DB atom moves to position 1 where the vacancy is created and the \si{} DB atom recaptures the DB lattice site.
Even for the largest possible distance (R) achieved in the calculations of the periodic supercell a binding energy as low as \unit[-0.31]{eV} is observed.
The creation of a vacancy at position 1 results in a configuration of substitutional C on a Si lattice site and no other remaining defects.
The \ci{} DB atom moves to position 1 where the vacancy is created and the \si{} DB atom recaptures the DB lattice site.