Ag-2N High Concentration Codoping p-Zn O for LED

First-principles density-functional theory calculations are perfomed to investigate the atomic structures and electronic properties of undoped wurtzite Zn O, N, Ag single doped and Ag-2N codoped Zn O, respectively. The results of band structure, total density of state, partial state density and Mulliken charge are obtained and analyzed.Resultssuggest that Ag-2N codoped Zn O is more stable by efficiently enhancing the dopant solubility and thus is likely to yield better p-type conductivity.