Formation of nitrogen-vacancy centres in diamond: tight-binding molecular dynamic simulation

Molecular dynamics simulation of the vacancy diffusion in diamond and its interaction and merging with substituted nitrogen atom at different temperatures is presented. The activation energy was calculated from temperature dependence of the diffusion and merging rates. Presented data provides optima...

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Bibliographic Details
Published in:Journal of physics. Conference series 2020-01, Vol.1435 (1), p.12069
Main Author: Smirnova, M O
Format: Article
Language:English
Subjects:
Diamonds
Diffusion rate
Molecular dynamics
Physics
Quantum phenomena
Simulation
Temperature dependence
Vacancies
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Summary:Molecular dynamics simulation of the vacancy diffusion in diamond and its interaction and merging with substituted nitrogen atom at different temperatures is presented. The activation energy was calculated from temperature dependence of the diffusion and merging rates. Presented data provides optimal temperature and duration of annealing for efficient formation of NV-centres with desired spatial localization. Simulation results are also useful for creating of solid structures for realization of quantum memory registers.
ISSN:1742-6588
1742-6596
DOI:10.1088/1742-6596/1435/1/012069