LAUSR

Abstract We investigated the optical properties and electronic structure of NV−1 center in diamond and 3C-SiC by combing photoluminescence spectroscopy (PL) and first-principles calculations. The NV−1 center in diamond and 3C-SiC were produced by 10 MeV electrons irradiation and 1 MeV silicon ions implantation at room temperature, respectively. We observed the zero phonon line (ZPL) of NV−1 center in 3C-SiC for the first time, which was different from that in diamond. The NV−1 centers in both host materials have the same configuration, which possess different spin-conserved optical transition energy. This phenomenon was interpreted by electronic structure and density of state calculations. Moreover, a long spin coherence time of NV−1 center in 3C-SiC was predicted by combining first-principles calculations and a mean-field theory for spin hyperfine interaction.