First-principles investigation of electrical and magnetic properties of ZnO based diluted magnetic semiconductors codoped with H

摘要

Hydrogen (H) behavior in ZnO based diluted magnetic semiconductors (DMSs) was investigated theoretically. It was found that H exhibits diverse electronic and structural behavior across a range of different DMSs, depending on the doped transition metal element. For instance in the extensively debated Co doped ZnO system (ZnO:Co), H dopants do not introduce significant carrier concentrations at room temperature thus carrier mediated magnetism is not attainable by H codoping. In this case, magnetism can be manipulated by other mechanisms. In contrast, in the ZnO:V system, H is positively charged for the entire bandgap region, meaning carrier mediated magnetism may be possible.