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1. 曲阜师范大学 物理工程学院, 山东 曲阜
2. 曲阜师范大学 图书馆, 山东 曲阜
3. 兖州一中, 山东 兖州
收稿:2008-11-10,
修回:1900-1-2,
网络首发:2009-08-30,
纸质出版:2009-08-30
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齐延华, 侯芹英, 苏希玉, 等. 不同3d过渡金属掺杂对ZnS电子结构和光学性质的影响[J]. 发光学报, 2009,30(4):515-519.
QI Yan-hua, HOU Qin-ying, SU Xi-yu, et al. Electronic Structure and Optical Properties of ZnS System Doped with Different 3d Transition Metals[J]. Chinese Journal of Luminescence, 2009, 30(4): 515-519.
采用基于密度泛函理论的第一性原理方法对掺杂不同3d过渡金属元素的闪锌矿型ZnS系统进行了研究。结果表明
掺杂元素的主要贡献在费米面附近
掺杂后系统的价带底、导带均向低能方向移动
带隙变小。Fe、Mn、Cr、V的掺杂为n型掺杂
Cu、Ni、Co的掺杂为p型掺杂。掺杂后系统的光学吸收边都有明显的红移
在绿光区有较强的吸收。此外
V和Cr掺杂系统在远紫外区也有较强的吸收
结果与实验符合。
paper
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