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Ferromagnetic properties electronic structures and formation energies of Zn vaca

上传者: 2021-02-27 06:42:05上传 PDF文件 858.37KB 热度 22次
Using the first-principles method based on the density functional theory, we investigated the ferromagnetic properties, electronic structures, and formation energies of Zn vacancy monodoping and (Zn vacancy, Li) codoped ZnO. The results indicate that both cases prefer the ferromagnetic ground state.
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