Abstract:We have performed a systematical calculation for Cr and Dy co-doped ZnO by the first principles method using Quantum-Espresso. A lot of interesting results were found from the analysis of energy band structures and density of states. From spin-polarized calculations within the framework
of density functional theory, we have noticed that the value of total magnetization of co-doped ZnO is substantially enhanced compared to that of pure ZnO, and total magnetic moments mainly come from the contribution of Cr 3d … Show more
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