Premium
On the diffusion of NV defects in diamond
Author(s) -
Pinto H.,
Jones R.,
Palmer D. W.,
Goss J. P.,
Briddon P. R.,
Öberg S.
Publication year - 2012
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.201200050
Subject(s) - diamond , diffusion , chemical physics , nitrogen , materials science , condensed matter physics , density functional theory , diffusion barrier , quantum information processing , nanotechnology , quantum , chemistry , computational chemistry , physics , thermodynamics , quantum mechanics , metallurgy , organic chemistry , layer (electronics)
Besides their importance for quantum information processing, NV defects are crucial agents for the diffusion and aggregation of nitrogen in diamond. In the absence of transition metals, it is thought that the first stage of nitrogen aggregation, where close neighbour nitrogen pairs are formed, is mediated by NV defects. Here we use density functional theory to explore the barriers to NV diffusion. We conclude that the barrier is around 5 eV when there is a ready source of vacancies and that this barrier is weakly dependent on pressure.