Hyperfine tensors of nitrogen-vacancy center in diamond from \emph{ab initio} calculations

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dc.creatorGali, Adam
dc.date2009-05-08
dc.date.accessioned2026-07-07T13:13:00Z
dc.date.available2026-07-07T13:13:00Z
dc.descriptionWe determine and analyze the charge and spin density distributions of nitrogen-vacancy (N-V) center in diamond for both the ground and excited states by \emph{ab initio} supercell calculations. We show that the hyperfine tensor of $^{15}$N nuclear spin is negative and strongly anisotropic in the excited state, in contrast to previous models used extensively to explain electron spin resonance measurements. In addition, we detect a significant redistribution of the spin density due to excitation that has serious implications for the quantum register applications of N-V center.
dc.description4 pages, 2 figures, 1 table
dc.identifierhttps://arxiv.org/abs/0905.1169
dc.identifierhttp://arxiv.org/abs/0905.1169
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/229752
dc.subjectMaterials Science
dc.titleHyperfine tensors of nitrogen-vacancy center in diamond from \emph{ab initio} calculations
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