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| Format: | Preprint |
| Published: |
2026
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2603.02644 |
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| _version_ | 1866914512363323392 |
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| author | Udvarhelyi, Péter |
| author_facet | Udvarhelyi, Péter |
| contents | Spin-active color centers are the basis of solid-state defect systems utilized in quantum technologies. Although silicon is an emerging host material for quantum defects, there is an urgent need to characterize color centers with a non-zero electron-spin ground state in this platform, in addition to the prominent T-center. In this work, we carry out first-principles calculations to identify the possible atomic structures originating the experimentally observed N-line series in silicon. We propose that the core structure of the N1 center consists of a neighboring carbon and nitrogen interstitial atoms. Furthermore, we predict that more complex defects involving self-interstitial and interstitial oxygen atoms are feasible candidates for the further lines in the series. As all of these color centers are isoelectronic to the T-center, they provide a family of alternative spin qubits with emission near the low-energy telecommunication bands. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2603_02644 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon Udvarhelyi, Péter Materials Science Spin-active color centers are the basis of solid-state defect systems utilized in quantum technologies. Although silicon is an emerging host material for quantum defects, there is an urgent need to characterize color centers with a non-zero electron-spin ground state in this platform, in addition to the prominent T-center. In this work, we carry out first-principles calculations to identify the possible atomic structures originating the experimentally observed N-line series in silicon. We propose that the core structure of the N1 center consists of a neighboring carbon and nitrogen interstitial atoms. Furthermore, we predict that more complex defects involving self-interstitial and interstitial oxygen atoms are feasible candidates for the further lines in the series. As all of these color centers are isoelectronic to the T-center, they provide a family of alternative spin qubits with emission near the low-energy telecommunication bands. |
| title | First-principles insights into the atomic structure of carbon-nitrogen-oxygen complex color centers in silicon |
| topic | Materials Science |
| url | https://arxiv.org/abs/2603.02644 |