First-Principles Study of the Electronic and Magnetic Properties of Fe-Doped MoS₂ Monolayer via Sulfur Vacancy Engineering using Density Functional Theory
Two dimensional transition metal dichalcogenides are a game changing class of nanomaterials for nanoscale spin dependent transport devices, but the intrinsic non-magnetic diamagnetic properties of pristine molybdenum disulfide (MoS₂) greatly limit its operational viability. Here, in a systematic investigation, we condu...