Ferromagnetic properties of Cu-doped ZnS: A density functional theory study |
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Authors: | Huiyu Yan Yuqi LiYanrui Guo Qinggong SongYifei Chen |
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Institution: | a College of Science, Civil Aviation University of China, Tianjin 300300, China b School of Machinery and Electricity, Henan Institute of Science and Technology, Xinxiang 453003, China |
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Abstract: | Using plane-wave pseudopotential (PWPP) method, the magnetism and spin-resolved electronic properties of Cu-doped ZnS system are studied. Our calculations indicate that ferromagnetic (FM) state is ground state in Cu-doped ZnS. The FM coupling strength in ZnS doping with Cu fluctuates with the variation of distance between two dopants and the fluctuation gets larger with increase in distance. Room temperature ferromagnetism can be observed in Cu-doped ZnS with high dopant concentration. Formation energy calculation implies that the clustering effect is not obvious in Cu-doped ZnS. Thus, Cu-doped ZnS can be a promising dilute magnetic semiconductor (DMS), which promises to be free of magnetic precipitates. |
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Keywords: | Dilute magnetic semiconductors Electronic structure PWPP |
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