Predictive Design of Defect States in Hexagonal Boron Nitride for Telecommunication-Band Quantum Emission
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arXiv
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| Autori principali: | , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2026
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| _version_ | 1866917184627802112 |
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| author | Anar, Kerem Hanedar, Berna Akgenc Kavkhani, Roya Onbasli, Mehmet Cengiz |
| author_facet | Anar, Kerem Hanedar, Berna Akgenc Kavkhani, Roya Onbasli, Mehmet Cengiz |
| contents | Defect-based single-photon emitters (SPEs) in hexagonal boron nitride (h-BN) are promising platforms for integrated quantum photonics; however, the absence of identified emitters operating at telecom wavelengths remains a critical limitation for fiber-based quantum communication. Here, we investigate previously unexplored carbon- and silicon-based point defects in monolayer h-BN as SPE candidates using hybrid density functional theory, constrained excited-state relaxations, and a generating-function approach to photoluminescence. We compute zero-phonon-line (ZPL) energies, radiative lifetimes, Huang-Rhys (HR) factors, and photoluminescence lineshapes to screen optical performance. All defects are thermodynamically stable with negative formation energies, and five candidates exhibit moderate electron-phonon coupling (HR < 5), indicating narrow emission linewidths. These emitters span a broad spectral range from the visible to the telecom regime, including near-infrared C-based centers and, most notably, the Si2BVN defect, which is identified as the first point defect in monolayer h-BN predicted to support single-photon emission in the telecom C band (1554 nm). Vacancy-containing complexes possess spin-1/2 ground states, enabling spin-photon interfaces compatible with integrated photonic and cavity-based platforms. The combined analysis of ZPL energies, electron-phonon coupling, and radiative lifetimes provides concrete targets for experimental realization of spin-active single-photon emitters in h-BN from the visible to telecom wavelengths. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_02068 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Predictive Design of Defect States in Hexagonal Boron Nitride for Telecommunication-Band Quantum Emission Anar, Kerem Hanedar, Berna Akgenc Kavkhani, Roya Onbasli, Mehmet Cengiz Materials Science Defect-based single-photon emitters (SPEs) in hexagonal boron nitride (h-BN) are promising platforms for integrated quantum photonics; however, the absence of identified emitters operating at telecom wavelengths remains a critical limitation for fiber-based quantum communication. Here, we investigate previously unexplored carbon- and silicon-based point defects in monolayer h-BN as SPE candidates using hybrid density functional theory, constrained excited-state relaxations, and a generating-function approach to photoluminescence. We compute zero-phonon-line (ZPL) energies, radiative lifetimes, Huang-Rhys (HR) factors, and photoluminescence lineshapes to screen optical performance. All defects are thermodynamically stable with negative formation energies, and five candidates exhibit moderate electron-phonon coupling (HR < 5), indicating narrow emission linewidths. These emitters span a broad spectral range from the visible to the telecom regime, including near-infrared C-based centers and, most notably, the Si2BVN defect, which is identified as the first point defect in monolayer h-BN predicted to support single-photon emission in the telecom C band (1554 nm). Vacancy-containing complexes possess spin-1/2 ground states, enabling spin-photon interfaces compatible with integrated photonic and cavity-based platforms. The combined analysis of ZPL energies, electron-phonon coupling, and radiative lifetimes provides concrete targets for experimental realization of spin-active single-photon emitters in h-BN from the visible to telecom wavelengths. |
| title | Predictive Design of Defect States in Hexagonal Boron Nitride for Telecommunication-Band Quantum Emission |
| topic | Materials Science |
| url | https://arxiv.org/abs/2601.02068 |