Magnetic anisotropy in Co/phosphorene heterostructure

Magnetic anisotropy (MA) in magnetic multilayer structures plays a critical role in the design of future spintronic and magnetic devices. This property is more important for structures with a thickness of few angstroms, such as few-layer two-dimensional materials. Here, we determined the variation in the interface MA in mono- and bilayer Co/phosphorene heterostructures via first-principles density functional theory calculations. We found that the MA of these structures was comparable to those of ferromagnet/heavy-metal interfaces, despite the small spin-orbit coupling strength of phosphorus atoms. The hybridization of the metal d and the phosphorene p orbitals is well manifested in the projected density of states of these systems. The strain dependence of the magnetic anisotropy energy (MAE) in bilayer Co/phosphorene heterostructures under uniaxial strains along zigzag and armchair directions of the phosphorene layer was investigated, indicating that the MAE of the system increases by more than 80% by applying the strain. More specifically, by utilizing the uniaxial tensile strain along the zigzag direction of this structure, we found that MA could vary from perpendicular to in-plane directions. Our findings indicate that interlayer hybrid bonds in two-dimensional layered materials can be a promising approach to tailoring the MA property.

Automated summary

Magnetic anisotropy (MA) is crucial in the design of future spintronic and magnetic devices, especially in structures with few angstroms thickness. Using first-principles calculations, we found that the interface MA in Co/phosphorene heterostructures is comparable to that of ferromagnet/heavy-metal interfaces, despite the weak spin-orbit coupling strength of phosphorus atoms. Furthermore, the magnetic anisotropy energy (MAE) of the system can be significantly increased by applying strain, with the MA varying from perpendicular to in-plane directions.