硫对Ag掺杂ZnO Ag的固溶度及电学性质的影响

Effects of S on solid solubility of Ag and electrical properties of Ag-doped ZnO films are investigated by experiment and first-principles calcualtion. It is found that S alloying in ZnO can increase solid solubility of Ag substituting for Zn (AgZn) due to that Ag binds more easily with S than O, leading to that Ag-S codoped ZnO films gradually transform from n- to p-type conductivity with increasing S content. The low-temperature photoluminescence measurement and first-principles calculation indicate that there are two kinds of AgZn and AgZn-nSO acceptors in the p-type Ag-S codoped ZnO and the AgZn-nSO acceptor has lower formation energy and acceptor transition energy than AgZn. The p-type conduction of the Ag-S codoped ZnO comes dominantly from contribution of the AgZn-nSO acceptor.