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

  • Amihai Silverman (a1), Joan Adler (a2) and Rafi Kalish (a2) (a3)
Abstract
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.

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Corresponding author
*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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Communications in Computational Physics
  • ISSN: 1815-2406
  • EISSN: 1991-7120
  • URL: /core/journals/communications-in-computational-physics
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