TITLE

Isolated nickel impurities in diamond: A microscopic model for the electrically active centers

AUTHOR(S)
Larico, R.; Assali, L. V. C.; Machado, W. V. M.; Justo, J. F.
PUB. DATE
February 2004
SOURCE
Applied Physics Letters;2/2/2004, Vol. 84 Issue 5, p720
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We present a theoretical investigation on the structural and electronic properties of isolated nickel impurities in diamond. The atomic structures, symmetries, formation and transition energies, and hyperfine parameters of isolated interstitial and substitutional Ni were computed using ab initio total energy methods. Based on our results, we ultimately propose a consistent microscopic model which explains several experimentally identified nickel-related active centers in diamond. © 2004 American Institute of Physics.
ACCESSION #
12063218

 

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