The diffusion mechanisms of Gd adatoms on Cu low index surfaces were studied. The simulation results showed that, on Cu(001) and Cu(111) surfaces, the Gd adatoms diffused by hopping, and the frequency of long jumps was very high at high temperatures. On the Cu(110) surface, along the [1¯10] direction, the Gd adatoms diffused by hopping, and the frequency of long jumps was also high while, along the [001] direction, the Gd adatoms diffused by exchanging. The diffusion coefficient or frequency of hopping and exchanging could be described by the Arrhenius equation. The diffusion barriers on Cu(001) and Cu(111) surfaces were calculated to be 0.19 and 0.013eV, respectively. Whereas on the Cu(110) surface, the hopping diffusion barrier along the [1¯10] direction was 0.097eV, and the exchanging diffusion barrier along [001] direction was 0.33eV.

Molecular Dynamics Simulation of Gd Adatom Diffusion on Cu Low Index Surfaces. Xie, G., Chen, N.: Journal of Vacuum Science and Technology, 2006, 26[6], 451-4