In this result, we perform a theoretical and experimental study of the nitrogen-vacancy (NV) center in 4H silicon carbide (4H-SiC), where N substitutes a C atom and a Si vacancy is present. We obtain theoretical results for the zero phonon lines (ZPLs) of different configurations of the NV center using density functional theory (DFT) with the PBE functional. Coherence times were calculated using the decay of the density matrix corresponding to the system’s spin Hamiltonian, which describes both the electron and nuclear spin. We also perform zero-field splitting calculations and obtain corresponding experimental measurements of spectrally resolved optically detected magnetic resonance (ODMR) spectra (experimental results shown below).
Details can be found in our manuscript: