Open AccessFormation of nitrogen-vacancy centres in diamond: tight-binding molecular dynamic simulation
Author(s) -
M. O. Smirnova
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1435/1/012069
Subject(s) - diamond , vacancy defect , molecular dynamics , annealing (glass) , nitrogen , realization (probability) , activation energy , materials science , diffusion , chemical physics , atom (system on chip) , nitrogen atom , molecular physics , statistical physics , chemistry , computer science , crystallography , physics , computational chemistry , thermodynamics , group (periodic table) , parallel computing , quantum mechanics , mathematics , metallurgy , statistics
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.