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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 nonzero electron-spin ground state in this platform, in addition to the prominent T center. In this work, we perform first-principles calculations to identify the possible atomic structures compatible with 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 pair. 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.

Rights:

• In Copyright
  

  ©2026 American Physical Society

Keyword: color center, quantum defect, first-principles calculation

Date published: 2026-08-18

Publisher: American Physical Society (APS)

Journal:

• Physical Review B (ISSN: 24699950) vol. 114 issue. 11

Funding:

• Institute of Laser Engineering, Osaka University
• National Institute for Materials Science

Manuscript type: Author's version (Accepted manuscript)

MDR DOI: https://doi.org/10.48505/nims.6470

First published URL: https://doi.org/10.1103/dnv9-dclq

Related item:

• is_supplemented_by
• (dataset)
• https://doi.org/10.48505/nims.6358

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Updated at: 2026-08-19 16:33:36 +0900

Published on MDR: 2026-08-20 08:27:28 +0900