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. 2016 Sep 7;6:32711. doi: 10.1038/srep32711

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(a) 2 × 2 × 3 ZnO supercell with a wurtzite structure and view of the Mn²⁺-doped ZnO (1 0 0) surface. (b) Calculated DOS of ZnO and 4.2% Mn²⁺-doped ZnO in the form of a bulk crystal. (c,d) Electron densities of states of bulk ZnO and 4.2% Mn²⁺-doped ZnO. The energy of the valence band maximum of the bulk phase is taken to be zero.

Inline graphic — (a) 2 × 2 × 3 ZnO supercell with a wurtzite structure and view of the Mn²⁺-doped ZnO (1 0 0) surface. (b) Calculated DOS of ZnO and 4.2% Mn²⁺-doped ZnO in the form of a bulk crystal. (c,d) Electron densities of states of bulk ZnO and 4.2% Mn²⁺-doped ZnO. The energy of the valence band maximum of the bulk phase is taken to be zero.