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.

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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
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article

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

Manoj Dey, Abhishek Kumar Singh, Shibu Meher
1 citations
Physical review. B./Physical review. B
Silicon Carbide Semiconductor Technologies
0.73
article

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

Manoj Dey, Abhishek Kumar Singh, Shibu Meher
article en
1 citations

Abstract

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.

Physical review. B./Physical review. BVol. 112(18)
Indian Institute of Science Bangalore (IN)
Openalex Percentile: Top 21%
Silicon Carbide Semiconductor Technologies
0.73
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