Calculational Raman spectra investigation of nitrogen-hyperdoped silicon formed in different conditions

The Raman spectra difference of the N-hyperdoped silicon prepared under different conditions is due to the different dominant configurations of N in silicon. The separate substitutional N atoms in silicon show several strong Raman peaks which can be also observed in the chalcogen-hyperdoped silicon. The configuration with separate substitutional and interstitial N atoms displays a strong and broad Raman band at 480 cm^-1, which is in accordance with our experiment. The introduction of the vacancies may lead to the disappearance or appearance of the Raman peaks, which depends on the dominant configurations of the N atoms. For the compound of interstitial N atoms and vacancies, the calculational Raman spectrum is similar to that of the NF₃-prepared silicon and N₂-prepared silicon with a lower laser power.