The first-principles study on the doping effects of Ca and Cd in Bi2O2Se

This dataset contains the main data results and the graphis about the reseach on the Ca Cd doping effecon in Bi2O2Se semiconductor. Bi2O2Se semiconductor is a newly explored semiconductor material which has promising applications as optoelectronic detectors, however, it seems only can be doped as n-type semiconductors. We theoretrically explained this phenomenon by analyzing the electronnic properties of the normal defects and dopants in Bi2O2Se. This work also instruct the possible space environment effect on the defect formation features of Bi2O2Se.