The twelve-line 1.682eV luminescence center in diamond and the vacancy-silicon complex

JP Goss, R Jones, SJ Breuer, PR Briddon and S Öberg
Physical Review Letters

Ab initio cluster methods are used to investigate vacancy-impurity complexes in diamond. We assign the 1.682 eV, twelve-line optical band to a vacancy-Si complex which has a very unusual, possibly unique structure with a Si atom at the center of a split vacancy. The method also successfully accounts for the 1.945, 2.156, and 2.985 eV optical transitions in trigonal vacancy-N defects and estimates of radiative lifetimes are given.

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