Microscopic Property of Amorphous Semiconductor Metal Oxide InGaZnO$_{4}$ and Role of O-deficiency

Abstract: We investigated the microscopic and electronic structures amorphous oxide semiconductors InGaZnO$_{4}$ (a-IGZO) and the role of O-deficiency through the first-principle calculations. The structure of the amorphous oxide is complicated by the admixture of many different kinds of substructures, however it is surprisingly found that the band tail states, which are well-known to be present in the amorphous semiconductors, are few generated for the conduction band minimum (CBM). The electronic structure around CBM is little affected by the disorder and also by the O-deficiency. Free electron carriers can be generated without a creation of donor-level in the O-deficient amorphous oxide.