High-throughput search of point defects in SiC
![](https://e-science.se/wp-content/uploads/2022/12/modified-silicon-vacancy-1024x339.jpg)
Point defects in semiconductors is an active field in quantum applications. These defects are used as sensors and qubits. Finding and identifying defects is time-consuming and requires lots of data. To solve this, we developed ADAQ—a high-throughput software for magneto-optical properties of point defects. We employed ADAQ on 4H-SiC and generate about 8000 defects. While searching through these defects, we identified a new class of defects related to the silicon vacancy (modified silicon vacancy) as the only candidate for previous unknown lines. These predictions were later confirmed with additional experiments.
Figure caption: Modified silicon vacancy configurations. ADAQ generated the configurations seen in a). We manually generated the configurations in b) and c).
References:
- Davidsson, J., Ivády, V., Armiento, R., & Abrikosov, I. A., ADAQ: Automatic workflows for magneto-optical properties of point defects in semiconductors, Computer Physics Communications, 269, 108091 (2021); https://doi.org/10.1016/j.cpc.2021.108091
- Davidsson, J., Babar, R., Shafizadeh, D., Ivanov, I. G., Ivády, V., Armiento, R., & Abrikosov, I. A., Exhaustive characterization of Si vacancy complex in 4H-SiC, Nanophotonics (2022); https://doi.org/10.1515/nanoph-2022-0400