Molecular dynamics simulations and photoluminescence measurements of annealed ZnO surfaces

The effect of thermal annealing on wurtzite ZnO, terminated by two surfaces, (0001¯) (which is oxygen-terminated) and (0 0 0 1) (which is Zn-terminated), is investigated via molecular dynamics simulation using reactive force field (ReaxFF). As a result of annealing at a threshold temperature range of 700K