Abstract
A previously unreported defect, which is labeled has been observed in the EPR spectrum of synthetic type-IIa diamonds irradiated at 100 K with 2 MeV electrons. This defect was not observed in identical diamonds whose temperature during electron irradiation was ⩾300 K. This center has also been observed in neutron irradiated natural type-Ib diamonds, but only after isochronal annealing at about 650 K: it subsequently annealed out at about 720 K. Analysis of the angular variation of the EPR line positions has determined the zero-field interaction showing that the center has a triplet ground state and symmetry, with a rotation axis. The use of a synthetic type-IIa diamond with 5% isotopic enrichment allowed observation of hyperfine satellites. Analysis of the hyperfine couplings by a simple molecular orbital calculation shows that 76% of the unpaired electronic wave function is localized in two nonbonding orbitals, on different carbon atoms. Interpretation of the parameter as arising primarily from dipole-dipole interaction between these two orbitals indicates that they are separated by 0.32(2) nm. The nonbonding orbitals indicate the involvement of -split interstitials in the structure. Two possible models are proposed, one involving two and one three parallel at next-nearest-neighbor positions, of which the latter gives the better fit to the data.
- Received 2 November 1999
DOI:https://doi.org/10.1103/PhysRevB.62.6587
©2000 American Physical Society