Theory of sulfur-vacancy defect in diamond: a comparable NV−1 isoelectronic center

Feb 10, 2017
6 pages
Published in:
  • Optik 136 (2017) 151-156
  • Published: Feb 10, 2017
DOI:

Citations per year

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Abstract: (Elsevier GmbH)
A color center in diamond which is a comparable NV−1 isoelectronic center is predicted based on first-principles electronic structure calculations. The defect consists of a substitutional sulfur and an adjacent carbon vacancy (S-V). We find that the S-V center is optically accessible with two zero-phonon line of about 1.12 and 1.22eV. The S-V center also shares many of the characteristics of the NV−1 center in diamond. A prominent spin coherence time is predicted by combining first-principles calculations and a mean-field theory for spin hyperfine interaction, and is at the same level with that of NV−1 center in diamond. Furthermore, the neutral S-V center in diamond provides more degrees of freedom for spin manipulation than the NV−1 center in diamond.
  • Color center
  • Zero-phonon line
  • First-principles calculation
  • Defect levels
  • Spin coherence time
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