Interfacial interaction between graphene and ferromagnets: First principles study

The interfacial interaction between graphene and ferromagnetic substrate is known to bring additional controls to the intrinsic properties of graphene, in addition to inducing some novel properties to the system which may have potential application in spintronics. In this work the spin-polarized electronic structures across the graphene-ferromagnet interface has been investigated using first principles density functional theory calculation as it is implemented on Vienna ab-initio simulation package (VASP). The electronic and magnetic properties of the interface have also been investigated. The ferromagnet substrate was represented by Ni(111) and Co(111) surfaces due to their structural resemblance to graphene. The study reveals that the ferromagnet layers adjacent to the interface show a transition of spin orientation from in plane to out of plane. The critical thickness of the slab which yields the maximum shifting of the spin orientation of the ferromagnet layers is also determined. The strong hybridization between different orbitals of graphene and ferromagnet significantly affects the electronic and magnetic properties of the interface. Reduction on the local magnetic moments of the ferromagnet layers adjacent to the interface and the induced spin polarization on the graphene layer were also observed which is due to the impacts of the hybridization. This work will provide important information which can be used for efficient design of interfaces for graphene-based spintronics.

Automated summary

In this study, the interfacial interaction between graphene and ferromagnetic substrate was investigated using first principles density functional theory calculation. The study reveals a transition of spin orientation from in plane to out of plane in the ferromagnet layers adjacent to the interface. The strong hybridization between graphene and ferromagnet significantly affects the electronic and magnetic properties of the interface. Important information for efficient design of graphene-based spintronics interfaces is provided.