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本文使用LMTO－ASA方法计算ZnS掺入激活剂铜所形成的铜发光中心的电子结构，分析了两种不同铜价态的影响．结果表明：尽管两种情形下禁带中铜3d能级均靠近价带顶，但掺杂二价铜时发光中心的能级结构符合Schon－Klasens模型，而掺杂一价钢的结果支持Williams－Prener模型．
In this paper, LMTO-ASA method was used to calculate the electronic structure of the luminescent center of ZnS doped with activator copper. The effects of two different copper valence states were analyzed. The results show that although the 3d levels of copper in the forbidden band are close to the top of the valence band in both cases, the energy level structure of the luminescent center conforms to the Schon-Klasens model when doped with cupric copper, while the doping of the univalent steel supports Williams -Prener model.