期刊
DIAMOND AND RELATED MATERIALS
卷 16, 期 4-7, 页码 819-822出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.diamond.2006.09.014
关键词
synthetic diamond; cobalt; transition metals; impurity
We carried out an ab initio investigation on the structural and electronic properties of cobalt impurities in diamond. The calculations provided the stable configurations, symmetries, spins, energetics and hyperfine parameters of cobalt in diamond in substitutional, interstitial, and divacancy sites. The results were compared to available experimental data on active centers in diamond. (C) 2006 Elsevier B.V. All rights reserved.
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