TY - JOUR
T1 - Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond
AU - Amihai Silverman, Joan Adler & Rafi Kalish
JO - Communications in Computational Physics
VL - 2
SP - 380
EP - 392
PY - 2018
DA - 2018/04
SN - 19
DO - http://doi.org/10.4208/cicp.261014.200515a
UR - https://global-sci.org/intro/article_detail/cicp/11093.html
KW - 
AB - <p style="text-align: justify;">We present results of simulations of the energetics and dynamics involved
in the realization of the NV (nitrogen-vacancy) center in diamond. We use the self-consistent
charge-density functional tight-binding approximation and show that when
the nitrogen resides on a single substitutional site, it fails to attract a vacancy, hence no
NV center can be formed. However, if it occupies a split interstitial site and two vacancies
reside on the second or third neighbor sites, an NV center will form following
annealing at temperatures as low as $300℃$ and $650℃$, respectively. These results provide
guidelines to experimentalists on how to increase the efficiency of NV formation
in diamond.</p>