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• W2050168454 abstract "By employing a density functional theory plane-wave pseudopotential method, we investigated band gap reduction and magnetism as well as electronic structures of (Cu, S)-codoped ZnO. Our calculations indicated that Cu and/or S-doped ZnO can reduce the band gap of ZnO. The (Cu, S)-codoped ZnO has a large band gap reduction of 0.37 eV, two times larger than that in Cu-doped ZnO. S atom has no contribution for the total magnetic moment of (Cu, S)-codoped ZnO, whereas it plays a central role in spin-polarizing of both Cu and S dopants due to strong coupling between Cu 3d and S 3p states. This would offer a new strategy for designing narrow band gap devices with magnetism." @default.
• W2050168454 created "2016-06-24" @default.
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• W2050168454 date "2012-07-01" @default.
• W2050168454 modified "2023-09-27" @default.
• W2050168454 title "Prediction of band gap reduction and magnetism in (Cu, S)-codoped ZnO" @default.
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• W2050168454 doi "https://doi.org/10.1016/j.jmmm.2012.02.035" @default.
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