@Article{CiCP-19-380, author = {}, title = {Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond}, journal = {Communications in Computational Physics}, year = {2018}, volume = {19}, number = {2}, pages = {380--392}, abstract = {

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.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.261014.200515a}, url = {http://global-sci.org/intro/article_detail/cicp/11093.html} }