First-principles study on the bandgap modulation of Be and Mg co-doped ZnO systems

Using the first-principles approach based upon the density functional theory, the electronic structure of Be and Mg co-doped wurtzite ZnO systems are studied. Compared with Be-doped ZnO systems, Be and Mg co-doped systems are more stable. For certain doping concentration a solar-blind region bandgap can be achieved.