Study of the P-Type Doping Properties of ZnS Nanocrystals

The paper presents the study of p-type doping properties of ZnS nanocrystals (Ncs) using the local density approximation theory (LDA). Doping with single species of N, P, or As, ZnS nanocrystals are found to have a low-doping concentration and efficiency, which may be limited by the large expelling effect between Zn and impurity atoms and the compensation action from interstitial Znint atoms that can offer donor states to compensate the acceptors. To decrease the expelling and the compensation effect, composite dopants, such as N jointed with Ga, In, or Al are applied to codope ZnS nanocrystals. As a result, ZnS nanocrystals in p-type with high doping density and efficient are completed