Microscopic structure of nickel-dopant centers in diamond

AUTOR(ES)

Larico, R., Machado, W. V. M., Justo, J. F., Assali, L. V. C.

FONTE

Brazilian Journal of Physics

DATA DE PUBLICAÇÃO

2006-06

RESUMO

We present a theoretical investigation on the properties of interstitial nickel and its related complexes in diamond. The atomic configurations, symmetries, spins, and energetics of interstitial nickel, nickel-boron and nickel-vacancy complexes were investigated by a total energy ab initio methodology. Those results are used to explain certain electrically active centers, commonly found in synthetic diamond.

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