Volume 19, Issue 2
Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond

Amihai Silverman, Joan Adler & Rafi Kalish

Commun. Comput. Phys., 19 (2016), pp. 380-392.

Published online: 2018-04

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  • 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.

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@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} }
TY - JOUR T1 - Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond JO - Communications in Computational Physics VL - 2 SP - 380 EP - 392 PY - 2018 DA - 2018/04 SN - 19 DO - http://dor.org/10.4208/cicp.261014.200515a UR - https://global-sci.org/intro/article_detail/cicp/11093.html KW - AB -

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.

Amihai Silverman, Joan Adler & Rafi Kalish. (2020). Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond. Communications in Computational Physics. 19 (2). 380-392. doi:10.4208/cicp.261014.200515a
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