Identification of individual C 13 isotopes of nitrogen-vacancy center in diamond by combining the polarization studies of nuclear spins and first-principles calculations

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Abstract

We determine the charge- and spin-density distributions of nitrogen-vacancy center in diamond for both the ground and excited states by ab initio supercell calculations yielding very good agreement with the experiment. We correctly determine the polarization of N 15 nuclear spin in the level anticrossing (LAC) mechanism. We show that LAC together with the accurate ab initio data can be used to identify the individual C 13 nuclei around the defect that can also reveal the dominant component of the precession vector responsible for the decoherence of the addressed nuclear-spin qubit.

Original languageEnglish
Article number241204
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume80
Issue number24
DOIs
Publication statusPublished - Dec 29 2009

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Nitrogen Isotopes
Diamond
Excited states
nuclear spin
Ground state
Vacancies
Isotopes
Diamonds
Nitrogen
isotopes
diamonds
Polarization
nitrogen
Defects
polarization
precession
density distribution
Experiments
nuclei
ground state

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

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