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Lookup NU author(s): Dr Jon Goss,
Professor Patrick Briddon
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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.
Author(s): Goss JP, Jones R, Breuer SJ, Briddon PR, Oberg S
Publication type: Article
Publication status: Published
Journal: Physical Review Letters
Print publication date: 01/01/1996
ISSN (print): 0031-9007
ISSN (electronic): 1079-7114
Publisher: American Physical Society
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