While not guaranteed to find the true minimum energy path, the method turns out to identify reasonable pathways for the investigated structures.\r
The defect formation energy $E-N_{\text{Si}}\mu_{\text{Si}}-N_{\text{C}}\mu_{\text{C}}$ is defined by choosing SiC as a particle reservoir for the C impurity, i.e. the chemical potentials are determined by the cohesive energies of a perfect Si and SiC supercell after ionic relaxation.\r
%In the same way defect formation energies are determined in the article\cite{dal_pino93} used for comparison.\r
While not guaranteed to find the true minimum energy path, the method turns out to identify reasonable pathways for the investigated structures.\r
The defect formation energy $E-N_{\text{Si}}\mu_{\text{Si}}-N_{\text{C}}\mu_{\text{C}}$ is defined by choosing SiC as a particle reservoir for the C impurity, i.e. the chemical potentials are determined by the cohesive energies of a perfect Si and SiC supercell after ionic relaxation.\r
%In the same way defect formation energies are determined in the article\cite{dal_pino93} used for comparison.\r