Ag adatom and dimer motion on Cu(1 1 0)(1 x 2) missing row surface

作者：Sbiaai Khalid^*; Eddiai Adil; Boughaleb Yahia; Hajjaji Abdelowahed; Mazroui M' hammed; Kara Abdelkader

来源：Optical Materials, 2013, 36(1): 42-46.

DOI：10.1016/j.optmat.2013.06.016

• Embedded adatom method
• Molecular dynamics simulations
• Diffusion
• Small cluster
• Copper
• Silver

The diffusion of Ag monomer and dimer on Cu(1 1 0)(1 x 2) missing row reconstructed surface is investigated by using the molecular dynamics simulation based on semi-empirical many-body potentials derived from the embedded atom method. In the case of monomer diffusion, both simple jump and long jump follow an Arrhenius law in a large temperature range (300-500 K) but with a small difference in activation energy. The activation barrier energy for simple jump is found to be (0.27 +/- 0.02) eV with corresponding prefactor 5.9 ps(-1). However, for double jump we found E-a2 = (0.33 +/- 0.05) eV. While in the case of dimer, we found that the adatoms activity is notably reduced at low temperature (T %26lt; 400 K) and the diffusion via dissociation-reassociation process is more favoured than the other processes. This finding is in a good agreement with the energetic prediction. The presence of concerted jump and leapfrog process is very rare due to their high corresponding activation energy.

• 出版日期2013-11