Magnetism in alkali-metal-doped wurtzite semiconductor materials controlled by strain engineering

摘要

The study of the magnetism and optical properties of semiconductor materials by defect engineering has attracted much attention because of their potential uses in spintronic and optoelectronic devices. In this paper, first-principle calculations discloses that cationic vacancy formation energy of the doped wurtzite materials can be sharply decreased due to alkali metal dopants and shows that their magnetic properties strongly depend on defect and doping concentration. This effect can be ascribed to the volume change induced by foreign elements doped into the host system and atomic population's difference. The symmetric deformation induced by biaxial strain can further regulate this behavior. Our results suggest that the formation of cationic vacancy can be tailored by strain engineering and dopants incorporation.