High-throughput computational search for group-IV-related quantum defects as spin-photon interfaces in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:mrow> <mml:mn>4</mml:mn> <mml:mi mathvariant="normal">H</mml:mi> </mml:mr
Optically active paramagnetic point defects in host semiconductors hold significant potential for integration into quantum technologies. However, the identification of a suitable candidate from the vast search space of numerous structural configurations, along with charge and spin states of defects, even within a single host, is extremely challenging. Here, we have developed a high-throughput approach based on first-principles calculations to screen group-IV-related promising quantum defects in 4H-SiC. We have systematically selected 13 quantum defects based on desired thermodynamic, electronic, and optical screening criteria. This strategy successfully identifies seven novel group-IV-related defects with single-photon emission within the telecommunication and midinfrared window, with a zero phonon line energy exceeding 0.4 eV. Two ${\mathrm{Sn}}_{\text{Si}}{\mathrm{V}}_{\text{C}}$ defects have favorable emission for silica fiber-based optical communication, while the remaining group-IV defects hold promise for fluoride fiber-based and free space communication. These quantum defects possess a strong transition dipole moment surpassing 5 Debye and exhibit zero-field splitting within the microwave range, and hence are potential for quantum sensing and spin-photon interfaces.
Authors
- Manoj Dey (ORCID: https://orcid.org/0000-0001-6904-5512)
- Abhishek Kumar Singh (ORCID: https://orcid.org/0000-0002-7631-6744)
- Shibu Meher (ORCID: https://orcid.org/0009-0000-2247-5718)
Institutions
- Indian Institute of Science Bangalore (IN)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2025-11-20
- DOI
- https://doi.org/10.1103/lsxj-nvhw
- Citations
- 1
- Primary Topic
- Silicon Carbide Semiconductor Technologies
- Type
- article
- Field-Weighted Citation Impact
- 0.73