Impact of Zn and Te Vacancies on the Electronic and Magnetic Properties of ZnTe Nanosheet

This study focuses on the structural, electronic, and magnetic properties of pure and defect-engineered ZnTe nanosheets using first-principles calculations. We examine the impact of intrinsic Zn and Te vacancies on the magnetic behavior of the ZnTe nanosheet. Our findings show that the introduction of a Zn vacancy leads to a half-metallic state with 100% spin polarization and a finite total magnetic moment, while Te vacancies do not induce magnetism and preserve a non-magnetic semiconducting state. The origin of the magnetism is traced to Te 5p states adjacent to the Zn vacancy. These results suggest that Zn vacancies are responsible for the observed magnetic properties and provide a microscopic understanding of defect-controlled magnetism in ZnTe-based nanosheets, highlighting their potential in spintronic and optoelectronic applications.