High-throughput computational search for group-IV-related quantum defects as spin-photon interfaces in 4H-SiC Article Swipe

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Shibu Meher , Manoj Dey , Abhishek K. Singh ·

YOU? · · 2025 · Open Access · · DOI: https://doi.org/10.26434/chemrxiv-2025-7whnf

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 mid-infrared window, with a zero phonon line energy exceeding 0.4 eV. Two SnSiVC 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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Photon

Spin (Aerodynamics)

Condensed Matter Physics

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Photon Spin (aerodynamics) Debye Dipole Quantum information science Quantum sensor Condensed matter physics Quantum Quantum network Physics Materials science Optoelectronics Quantum computer Quantum mechanics Quantum entanglement Thermodynamics

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Type: preprint
Language: en
Landing Page: https://doi.org/10.26434/chemrxiv-2025-7whnf
PDF: https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/68519bda1a8f9bdab504fa96/original/high-throughput-computational-search-for-group-iv-related-quantum-defects-as-spin-photon-interfaces-in-4h-si-c.pdf
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DOI: https://doi.org/10.26434/chemrxiv-2025-7whnf

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Title: High-throughput computational search for group-IV-related quantum defects as spin-photon interfaces in 4H-SiC

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Type: preprint

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Language: en

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Publication year: 2025

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Publication date: 2025-06-20

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Authors: Shibu Meher, Manoj Dey, Abhishek K. Singh

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Landing page: https://doi.org/10.26434/chemrxiv-2025-7whnf

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PDF URL: https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/68519bda1a8f9bdab504fa96/original/high-throughput-computational-search-for-group-iv-related-quantum-defects-as-spin-photon-interfaces-in-4h-si-c.pdf

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Concepts: Photon, Spin (aerodynamics), Debye, Dipole, Quantum information science, Quantum sensor, Condensed matter physics, Quantum, Quantum network, Physics, Materials science, Optoelectronics, Quantum computer, Quantum mechanics, Quantum entanglement, Thermodynamics

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