Understanding of defects and impurities in ZnO

Chul Hong PARK (Pusan National University, Korea)

The semiconductor oxides are now widely investigated for the applications of semiconductor devices, spintronics, optical materials, and transparent conducting materials, etc. It is well-known that the doping control for p-type conduction is difficult, and the hydrogen contamination is serious, by which the semiconductor device fabrication is difficult, and also that the ferromagnetism can be realized by transition metal ion doping such as Co.

In this talk, based on the DFT calculations, i) the basic properties of ZnO will be discussed firstly, and then ii) the defect formations, and iii) the role of hydrogen for the electric conductivity are discussed, and iv) the electronic structure and spin-interactions will be discussed in TM-doped ZnO. v) When the defect concentration is high, the defect interaction becmes serious. The phenomena related to the defect interaction will be also discussed.