Year: 2016
Author: Amihai Silverman, Joan Adler, Rafi Kalish
Communications in Computational Physics, Vol. 19 (2016), Iss. 2 : pp. 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.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.261014.200515a
Communications in Computational Physics, Vol. 19 (2016), Iss. 2 : pp. 380–392
Published online: 2016-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 13
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