Simulation of Reaction-Induced Phase Separation in Surface Alloy

G. Zvejnieks a,b and E.E. Tornau c a Department of Physics, University of Latvia, Raina 19, LV-1586, Riga, Latvia b Institute for Solid State Physics, Kengaraga 8, LV-1063, Riga, Latvia c Semiconductor Physics Institute, Goštauto 11, LT-01108, Vilnius, Lithuania

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Received: 26 08 2007;

Using kinetic Monte Carlo method we simulate the dynamics of biatomic Au0.3Ni0.7 surface alloy separation on Ni(111) due to Ni(CO)4 out-reaction. The experiment of Vestergaard et al. is modeled by counterbalancing dynamical processes and interactions between reactants. The simulations demonstrate step flow rate increase with CO coverage, cCO, in qualitative agreement with the experiment only for cCO ≲ 0.45 monolayer. Moreover, we demonstrate both CO influence on reaction process and Au domain formation.

DOI: 10.12693/APhysPolA.113.1099 PACS numbers: 68.43.Fg, 68.43.Hn, 68.43Mn, 64.60.Cn