Research Article

Effect of Intrinsic Point Defect on the Magnetic Properties of ZnO Nanowire

Table 2

Calculated Mulliken population of the ZnO nanowire with VZn defect. Around the VZn, the Oai represents the first-nearest neighboring O atoms in the basal plane, the Oc is the second-nearest neighboring O atoms in the axial plane, and the is the third-nearest neighboring Zn atoms in the basal plane.

Atom /

Oa10.562
Oa20.556
Oa30.557
Oc0.102
0.006
0.005
0.001
0.001
0.001
0.001