Identifying the effects of phosphorus on the magnetism of WS2 nanosheets

To identify the effects of phosphorus on the magnetism of WS2, the magnetic properties of phosphatized WS2 (P-WS2) nanosheets with varying phosphorus concentrations are studied by experimental research and first-principle calculations. Our experimental findings demonstrate that all P-WS2 samples exhibit distinct ordered-magnetic signatures (ferromagnetic and antiferromagnetic), and the saturation magnetization varies with the phosphorus concentration. First-principle calculations reveal that phosphorus atoms preferentially occupy sulfur vacancies, inducing magnetic moments in WS2 nanosheets. Phosphorus atoms occupying sulfur vacancies in the same sulfur atom layer exhibit ferromagnetic coupling, while those in two sulfur atom layers of a monolayer exhibit antiferromagnetic coupling. The magnetic properties of P-WS2 can be tuned by controlling the position and concentration of phosphorus atoms. Increasing the concentration of phosphorus atoms occupying sulfur vacancies in the same sulfur atom layer is a viable approach to enhance the magnetism of P-WS2. This study clarifies the effects of phosphorus on the magnetism of WS2 nanosheets and will promote its application in spintronics.