Electronic properties of isolated nickel in diamond

AUTOR(ES)

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

FONTE

Brazilian Journal of Physics

DATA DE PUBLICAÇÃO

2004-06

RESUMO

Isolated nickel impurities in diamond have been investigated using the spin-polarized full-potential linearized augmented plane wave total energy method. The electronic and atomic structures, symmetries, transition energies, and formation energies of substitutional and interstitial Ni impurities in diamond were computed. The results were discussed in the context of the electrically active centers in synthetic diamond.

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