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Dynamics of the Formation of the Nitrogen-Vacancy Center in Diamond

Published online by Cambridge University Press:  01 February 2016

Amihai Silverman ,
Joan Adler  and
Rafi Kalish
Amihai Silverman
Affiliation:
Computer and Information Systems Division, Technion – Israel Institute of Technology, Haifa 32000 , Israel
Joan Adler*
Affiliation:
Physics Department, Technion – Israel Institute of Technology, Haifa 32000Israel
Rafi Kalish
Affiliation:
Physics Department, Technion – Israel Institute of Technology, Haifa 32000Israel Solid State Institute, Technion – Israel Institute of Technology, Haifa 32000Israel
*
*Corresponding author. Email addresses:amihai@tx.technion.ac.il (A. Silverman), phr76ja@tx.technion.ac.il (J. Adler), kalish@si.technion.ac.il (R. Kalish)
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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°C and 650°C, respectively. These results provide guidelines to experimentalists on how to increase the efficiency of NV formation in diamond.

Keywords

NV centerdiamondirradiation effects in solidscomputer modeling and simulationscolor centers crystal defectsdisordered solids
Type
Research Article
Information
Communications in Computational Physics , Volume 19 , Issue 2 , February 2016 , pp. 380 - 392
Copyright
Copyright © Global-Science Press 2016 

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