SUBSTITUTIONAL IMPURITIES IN DIAMOND

被引:52
作者
MAINWOOD, A
机构
来源
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS | 1979年 / 12卷 / 13期
关键词
D O I
10.1088/0022-3719/12/13/018
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Semiempirical molecular orbital calculations have been carried out on some of the common substitutional species in diamond-nitrogen, boron, silicon, oxygen, and the nitrogen pair. The results show that this model reproduces many of the electronic and vibrational properties of these defects extremely well. In particular, the single nitrogen atom has a relaxation of 5% elongation of one of the C-N bonds, with a Jahn-Teller energy of 1.64 eV. The boron substitutional has an acceptor energy of 0.36 eV with a prominent phonon at 159 meV, in excellent agreement with experimental values.
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页码:2543 / 2549
页数:7
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