Figure 6
From: Origin of magnetic properties in carbon implanted ZnO nanowires
(a) Calculated total DOS (TDOS) of defect-free (ZnOB, upper panel), single Zn-vacancy (\({{{\rm{V}}}_{{\rm{Zn}}}}^{{\rm{B}}}\), middle panel), and single carbon-substitution (\({{{\rm{C}}}_{{\rm{Zn}}}}^{{\rm{B}}}\), lower panel) in a 72-atom supercell (Zn36O36). (b) Calculated TDOS (upper panel) and partial DOS (PDOS) of interstitial-vacancy complex \(({{{\rm{C}}}_{{\rm{i}}}}^{{\rm{B}}}+{{{\rm{V}}}_{{\rm{Zn}}}}^{{\rm{B}}})\). 2p states of interstitial C atom and four nearest-neighbor O atoms are shown in middle and lower panels, respectively. Majority and minority spins are represented as blue and red areas and curves, respectively. EF denoted as the vertical dashed line is aligned to 0 eV.
