As mentioned above, the low energy of formation for the tetrahedral interstitial in the case of the Tersoff potential is believed to be an artifact of the abrupt cut-off set to \unit[2.5]{\AA} (see Ref. 11 and 13 in \cite{tersoff90}) and the real formation energy is, thus, supposed to be located between \unit[3-10]{eV}.
Keeping these considerations in mind, the \ci{} \hkl<1 0 0> DB is the most favorable interstitial configuration for all interaction models.
This finding is in agreement with several theoretical\cite{burnard93,leary97,dal_pino93,capaz94,jones04} and experimental\cite{watkins76,song90} investigations, which all predict this configuration to be the ground state.
As mentioned above, the low energy of formation for the tetrahedral interstitial in the case of the Tersoff potential is believed to be an artifact of the abrupt cut-off set to \unit[2.5]{\AA} (see Ref. 11 and 13 in \cite{tersoff90}) and the real formation energy is, thus, supposed to be located between \unit[3-10]{eV}.
Keeping these considerations in mind, the \ci{} \hkl<1 0 0> DB is the most favorable interstitial configuration for all interaction models.
This finding is in agreement with several theoretical\cite{burnard93,leary97,dal_pino93,capaz94,jones04} and experimental\cite{watkins76,song90} investigations, which all predict this configuration to be the ground state.