The effect of Y intercalation
on the atomic, electronic, and magnetic
properties of the graphene/Co(0001) interface is studied using state-of-the-art
density functional theory calculations. Different structural models
of the graphene/Y/Co(0001) interface are considered: (i) graphene/Y/Co(0001),
(ii) graphene/1ML-YCo
2
/Co(0001), and (iii) graphene/bulk-like-YCo
2
(111). It is found that the interaction strength between graphene
and the substrate is strongly affected by the presence of Y at the
interface and the electronic structure of graphene (doping and the
appearance of the energy gap) is defined by the Y concentration. For
the Co-terminated interfaces between graphene and the metallic support
in the considered systems, the electronic structure of graphene is
strongly disturbed, leading to the absence of the linear dispersion
for the graphene π band; in the case of the Y-terminated interfaces,
a graphene layer is strongly
n
-doped, but the linear
dispersion for this band is preserved. Our calculations show that
the magnetic anisotropy for the magnetic atoms at the graphene/metal
interface is strongly affected by the adsorption of a graphene layer,
giving a possibility for one to engineer the magnetic properties of
the graphene/ferromagnet systems.