Vacancy-related color centers in two-dimensional silicon carbide monolayers

We examine vacancy defects in two-dimensional silicon carbide (2D-SiC) using density functional theory in order to explore their magneto-optical properties and their potential in quantum technologies. The defects include the silicon-vacancy (V$_{\text{Si}}$) and two antisite-vacancy pairs (V$_{\text{C}}$-C$_{\text{Si}}$ and V$_{\text{Si}}$-C$_{\text{Si}}$). We determine the characteristic hyperfine tensors and the fluorescence spectrum that are the key fingerprints of silicon-vacancy-related paramagnetic color centers in 2D-SiC and may be observed in electron paramagnetic resonance and photoluminescence experiments. In particular, we show that the V$_{\text{C}}$-C$_{\text{Si}}^-$ defect is promising candidate for a single-photon quantum emitter and qubit

Theoretical study of quantum emitters in two-dimensional silicon carbide monolayers

The electronic and optical features of some potential single-photon sources in two-dimensional silicon carbide monolayers is studied via ab initio calculations and group theory analyses. A few point defects in three charge states (negative, positive, and neutral) are considered. By applying performance criteria, Stone-Wales defects without and with combination of antisite defects are studied in detail. The formation energy calculations reveal that neutral and positive charge states of these defects are stable. We compute the zero-phonon-line energy, the Huang-Rhys (HR) factor, and the photoluminescence spectrum for the available transitions in different charge states. The calculated HR values and the related Debye-Waller factors guarantee that the Stone-Wales defects have a high potential of performing as a promising single-photon emitter.Peer reviewe