Cobalt in diamond:: An ab initio investigation

被引：5

作者：

Assali, L. V. C.

Machado, W. V. M.

Larico, R.

Justo, J. F.

机构：

[1] Univ Sao Paulo, Dept Fis Mat & Mecan, Inst Fis, BR-05315970 Sao Paulo, Brazil

[2] Univ Sao Paulo, Escola Politecn, BR-05424970 Sao Paulo, Brazil

来源：

基金：

巴西圣保罗研究基金会;

关键词：

synthetic diamond; cobalt; transition metals; impurity;

D O I：

10.1016/j.diamond.2006.09.014

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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.

引用

页码：819 / 822

页数：4

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