Table 1.
Average distance 
(in a.u.) from the graphene overlayer on Ni(111) (GR/Ni), and between the graphene overlayer and the Ni surface, f-electron occupation 
, spin 
, orbital 
, and the total 
+ 
moments (in 
) for the Dy-atom. The non-f spin and the orbital magnetic moments, together with the total non-f magnetic moment m in the Dy@GR/Ni unit cell. The non-zero CF parameters [
], and the exchange field 
for Dy adatom on GR/Ni(111) (in meV). The magnetic anisotropy constants K, and the corresponding magnetic anisotropy energy (MAE, meV) for the Dy adatom on GR/Ni(111) (in meV).
| Dy@GR/Ni |  |
 |
 |
 |
 +
|
|---|---|---|---|---|---|
| Dy | 4.145 | 9.94 | 3.38 | 5.26 | 8.64 |
| GR/Ni | 4.136 | -18.03 | -1.80 | -19.83 | |
| CEF |  |
 |
 |
 |
 |
| (meV) | 14.20 | -4.19 | -0.36 | -8.50 | 11.0 |
| MAE |  |
 |
 |
 |
 [010]- [001] |
| (meV) | -8.39 | 11.80 | -0.60 | 0.66 | 2.15 |
 [100]- [010] |
|||||
| 1.32 |