ELECTRONIC STRUCTURE OF NEUTRAL ISOLATED DIVACANCY IN DIAMOND

被引:25
作者
COULSON, CA
LARKINS, FP
机构
[1] Mathematical Institute, Oxford, England
关键词
D O I
10.1016/0022-3697(69)90173-5
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A defect-molecule model has been used to calculate the electronic structure of a neutral isolated divacancy in an otherwise perfect diamond crystal, using the molecular-orbital theory. The result suggests that there is a spin- and orbitally-allowed transition of symmetry 3A2g → 3A1u which contributes to the broad u.v. band observed in irradiated diamonds. It is also predicted that this centre should be paramagnetic and show optical dichroism. © 1969.
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页码:1963 / &
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