The Ni/Au Contacts to N-doped ZnO;

The electronic structure of pure N-doped and In-N codoped wurtzite ZnO has been calculated by using first-principles ultra-soft pseudo-potential approach of the plane wave based upon the density functional theory,and the structure change,bandstructure,density of states,difference charge density and the influence of In-N codoped wurtzite ZnO by H atom were studied.

Structure and Magnetism of Mn-doped ZnO Nanocrystals Annealed at Different Temperature;

Optical Properties and Magnetism of Mn-doped ZnO Nanocrystals;

The electronic structure of pure and Mg-doped wurtzite ZnO has been investigated by using first-principles ultrasoft pseudopotential method in the generalized gradient approximation.